Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39977 | Target Info | |||
| Target Name | Macrophage migration inhibitory factor (MIF) | ||||
| Synonyms |
Phenylpyruvate tautomerase; MMIF; L-dopachrome tautomerase; L-dopachrome isomerase; Glycosylation-inhibiting factor; GLIF; GIF
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| Target Type | Clinical trial Target | ||||
| Gene Name | MIF | ||||
| Biochemical Class | Intramolecular oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 47 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
3-acetyl-7-hydroxy-2H-chromen-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
3-acetyl-7-hydroxy-2H-chromen-2-one; 10441-27-7; 3-Acetyl-7-hydroxy-chromen-2-one; 3-Acetyl-umbelliferone; 3-acetylumbelliferone; CHEMBL153064; 2H-1-Benzopyran-2-one, 3-acetyl-7-hydroxy-; BRQZHMHHZLRXOO-UHFFFAOYSA-N; 3-acetyl-7-hydroxy-2-oxochromene; 3-acetyl-7-hydroxychromen-2-one; 3-Acetyl-7-Hydroxy-1H-Chromen-2-One; 3-acethyl-umbelliferone; AC1NU0NR; 3-Acetyl-7-hydroxycoumarin; CBDivE_005922; MLS000777662; SCHEMBL592707; ZINC47516; cid_5392139; ASIS-0097; CTK4A3026; DTXSID20419817; MolPort-000-820-976; BB_NC-01216; STK365153
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| Activity |
IC50 = 103200 nM
|
[1] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-3-(1H-indol-3-yl)-propionic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL312502; BDBM50113773; ZINC26476944
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Methyl 3-[3-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-5-yl]propanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL563301; BDBM50298011; methyl 3-(3-(3(3-fluoro-4hydroxyphenyl)-4,5-dihydroisoxazole-5-yl)-1,2,4-oxadiazol-5-yl)propionate
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-3-phenyl-propionic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL79113; BDBM50113772
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
1-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pyrrolidine-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558731; BDBM50298025
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
3-Fluorobenzyl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
1-fluoro-3-(isothiocyanatomethyl)benzene; 3-Fluorobenzylisothiocyanate; Benzene,1-fluoro-3-(isothiocyanatomethyl)-; CHEMBL3409227; ammoniumhydrogentartrate; SCHEMBL1551628; CTK5B8763; DTXSID80371962; (3-fluorophenyl)methanisothiocyanate; ZINC2528111; BDBM50073663; MFCD00060406; SBB088089; AKOS000343429; FS-4130; SC-62489; 1-fluoranyl-3-(isothiocyanatomethyl)benzene; DB-054461; FT-0615726; Y-9428; A834341
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| Activity |
IC50 = 54000 nM
|
[4] | |||
| Compound Name |
3-((3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL554783; BDBM50298026
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| Activity |
IC50 = 55000 nM
|
[3] | |||
| Compound Name |
Methyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL374968; BDBM50209086; AKOS003412309; ST51027109; (e)-methyl n'-(4-hydroxybenzylidene)hydrazinecarboxylate; N-[(1E)-2-(4-hydroxyphenyl)-1-azavinyl]methoxycarboxamide
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| Activity |
IC50 = 55000 nM
|
[5] | |||
| Compound Name |
(5-Methyl-2-propan-2-ylphenyl) 2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927064; BDBM50359711
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| Activity |
IC50 = 55300 nM
|
[6] | |||
| Compound Name |
3-[3-[3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL559951; BDBM50298008; 3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisoxazole-5-yl)-1,2,4-oxadaizole-5-yl)propanoic acid
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
2-Fluoro-4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazole-3-yl)-4,5-dihydroisoxazole-3-yl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL538172; BDBM50298007
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
2-Fluoro-4-[5-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL559555; BDBM50298027; 2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazole-3-yl)methyl)isoxazole-3-yl)phenol
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
2-Fluoro-4-(5-(5-methyl-1,2,4-oxadiazol-3-yl)-4,5-dihydroisoxazol-3-yl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL565030; BDBM50298005
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
N-(Furan-2-ylmethyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1253493; SCHEMBL10036668; ZINC4362075; BDBM50326568; CCG-49442; STK835499; AKOS002526243; MCULE-2801729973; AB00111614-01; SR-01000638894-1; N-(furan-2-ylmethyl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine
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| Activity |
IC50 = 60400 nM
|
[1] | |||
| Compound Name |
3-(2-Isothiocyanatoethyl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3409219; BDBM50073658
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| Activity |
IC50 = 62000 nM
|
[4] | |||
| Compound Name |
Ethyl 2-cyano-3-(2,4-dihydroxyphenyl)acrylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1253544; ZINC297349; BDBM50326567; AKOS003851344; SR-01000204266; SR-01000204266-1
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| Activity |
IC50 = 62100 nM
|
[1] | |||
| Compound Name |
3-Benzoyl-7-hydroxy-2H-chromen-2-one
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Investigative | Compound Info | ||
| Synonyms |
3-benzoyl-7-hydroxychromen-2-one; MLS000530586; 2H-1-Benzopyran-2-one, 3-benzoyl-7-hydroxy-; SMR000135564; 7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one; 3- Benzoylumbelliferon; Enamine_003383; Oprea1_398055; 3-benzoyl-7-hydroxy-coumarin; CHEMBL589351; SCHEMBL2471214; BDBM57152; cid_5413038; CTK0E1561; DTXSID70419943; HMS1403J17; HMS2396G17; ALBB-015484; ZINC6557585; BBL029559; CCG-33424; MFCD02059146; STL146094; AKOS001053918; MCULE-6440361993; 3-benzoyl-7-hydroxy-1-benzopyran-2-one; 2-Oxo-3-benzoyl-2H-1-benzopyran-7-ol; NS-04196; 7-oxidanyl-3-(phenylcarbonyl)chromen-2-one; R5412; Z56849319; F0916-3927
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| Activity |
IC50 = 64200 nM
|
[1] | |||
| Compound Name |
4-(4-(4-Methoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289843; BDBM50331399
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| Activity |
IC50 = 65000 nM
|
[7] | |||
| Compound Name |
4-(4-(3,4-Dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289845; BDBM50331401
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| Activity |
IC50 = 70000 nM
|
[7] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-butyric acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2367596; BDBM50113774
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|
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| Activity |
IC50 = 70000 nM
|
[2] | |||
| Compound Name |
2-[[2-Chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3261382; Oprea1_533829; Oprea1_792884; ZINC6075807; BDBM50013035; AKOS000731837
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| Activity |
IC50 = 74490 nM
|
[8] | |||
| Compound Name |
(3R)-3-(Furan-2-yl)-4-phenylbutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3261383; ZINC317898; BDBM50013036
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|
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| Activity |
IC50 = 85560 nM
|
[8] | |||
| Compound Name |
3-(3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL553881; BDBM50298006
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|
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| Activity |
IC50 = 95000 nM
|
[3] | |||
| Compound Name |
N-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL557060; BDBM50298016
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-4-methyl-pentanoic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2367593; BDBM50113771
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(1-Isothiocyanatopropyl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3409410; CTK3H3484; DTXSID50581071; BDBM50073731; Phenol, 4-(1-isothiocyanatopropyl)-
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)pivalamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL559497; BDBM50298015
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Benzyl thiocyanate
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Investigative | Compound Info | ||
| Synonyms |
Thiocyanic acid, phenylmethyl ester; Tropeolin; Solvat 14; BENZYLTHIOCYANATE; Benzylrhodonid; Thiocyanic acid, benzyl ester; alpha-Thiocyanatotoluene; Benzyl-thiocyanate; Thiocyanic acid benzyl ester; phenylmethyl thiocyanate; Benzyl rhodanide; UNII-YX8TAO9O90; (benzylsulfanyl)carbonitrile; .alpha.-Thiocyanatotoluene; YX8TAO9O90; Toluene, .alpha.-thiocyanato-; benzylthiocarbonitrile; MFCD00001832; WLN: NCS1R; Toluene, alpha-thiocyanato-; CCRIS 3085; NSC 1729; EINECS 221-144-2; NSC 130266; BRN 1859726; AI3-08887; ACMC-1CPDD; alpha -thiocyanatotoluene; alpha-Thiocyanato-Toluene; (thiocyanatomethyl)benzene; DSSTox_CID_156; thiocyanato-methyl-benzene; (phenylmethyl) thiocyanate; DSSTox_RID_75408; DSSTox_GSID_20156; Toluene, alpha -thiocyanato-; 4-06-00-02680 (Beilstein Handbook Reference); Phenylmethyl thiocyanate, 9CI; SCHEMBL129196; CHEMBL2251721; DTXSID5020156; CTK1C3333; NSC1729; NSC-1729; ZINC1529490; thiocyanic acid (phenylmethyl) ester; Tox21_200015; 8051AF; ANW-26783; BDBM50073737; NSC130266; SBB056767; STK331791; AKOS005142996; Benzyl thiocyanate, >=95.0% (GC); MCULE-7038616389; NE10123; NSC-130266; VZ31366; NCGC00248493-01; NCGC00257569-01; ST50981592; C02660; A820216; AJ-087/40225997; J-017789; Q18341008
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
3-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,1-dimethylurea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL563186; BDBM50298017
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-Hydroxy-2-[(4-hydroxy-benzylidene)-amino]-butyric acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2367595; BDBM50113770
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
Phenethyl isocyanate
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Investigative | Compound Info | ||
| Synonyms |
(2-Isocyanatoethyl)benzene; Phenylethyl isocyanate; 2-Phenylethyl Isocyanate; 2-Phenylethylisocyanate; Phenylethylisocyanate; 2-isocyanatoethylbenzene; Phenethylisocyanate; Benzene, (2-isocyanatoethyl)-; UNII-W78MJV7AIA; W78MJV7AIA; (2-Isocyanato-ethyl)-benzene; 2-PHENETHYL ISOCYANATE; Phenethyl isocyanate, 99%; Isocyanic Acid Phenethyl Ester; Isocyanic Acid 2-Phenylethyl Ester; phenylethyl-isocyanat; phenylethyl-isocyanate; phenyl ethyl isocyanate; PubChem12396; 2-phenylethyl-isocyanate; ACMC-1BWKA; 2-phenyl ethyl isocyanate; ss--Phenylethyl isocyanate; 2-isocyanato-ethyl-benzene; Epitope ID:140103; (2-phenyl)ethyl isocyanate; EC 413-080-0; Phenethyl isocyanate, 98%; SCHEMBL5918; .beta.-Phenylethyl isocyanate; KSC493K2T; PARAGOS 331054; CHEMBL2074871; CTK3J3529; DTXSID10173052; BETA-PHENYLETHYL ISOCYANATE; OTAVA-BB 1055543; ALBB-007537; KS-00000VJ5; ZINC2384722; ANW-23646; BDBM50073656; MFCD00037044; STK504606; AKOS003384170; AS04375; MCULE-5298777161; SC-23168; AB0011404; DB-021500; BB 0253959; FT-0604633; P1677; K-5730; 943P824; J-500826; Q27127052; F2160-0015
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-(3-(3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)-1,2,4-oxadiazol-5-yl)phenyl(methyl)carbamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL552426; BDBM50298012
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-Cyclohexyl-3-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazole-5-yl)-1,2,4-oxadiazol-5-yl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL559258; BDBM50298010
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
3-(3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydroisoxazole-5-yl)-5-methyl-1,2,4-oxadiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL538170; BDBM50298004
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-(4-Aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL377311; BDBM50186437; US8618147, 9
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
4-[(4-Hydroxyphenyl)-isothiocyanatomethyl]phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3409225; BDBM50073735
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Benzhydryl isothiocyanate
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Investigative | Compound Info | ||
| Synonyms |
[Isothiocyanato(phenyl)methyl]benzene; BENZHYDRylisoTHIOCYANATE; diphenylmethyl isothiocyanate; Benzene, 1,1'-(isothiocyanatomethylene)bis-; CHEMBL3409412; MFCD00046815; diphenylmethanisothiocyanate; isothiocyanatodiphenylmethane; ACMC-20alq6; benzhydryl-isothiocyanate; benzhydryl isothio-cyanate; SCHEMBL1247431; Benzhydryl isothiocyanate, 97%; 1,1-Diphenylmethylisothiocyanate; (isothiocyanatomethylene)dibenzene; CTK4H4673; DTXSID30334446; ZINC2508121; BDBM50073717; SBB096856; AKOS009158774; MCULE-7916895405; VZ31282; [Isothiocyanato(phenyl)methyl]benzene #; BP-11156; Benzene,1,1'-(isothiocyanatomethylene)bis-; DB-022563; FT-0622662; ST50825755; A822837
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-5-methylsulfanyl-pentanoic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2367597; BDBM50113767
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
2,2,2-Trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL549389; BDBM50298020
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(4-Hydroxy-benzylidene)-amino]-propionic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2367594; BDBM50113769; ZINC13473925
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-[3-[3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL556512; BDBM50298014; 3-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-1,2,4-oxadiazol-5-yl)benzene-1-2-diol
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-[(2-Methyl-6-Phenylpyridin-4-Yl)oxy]phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178856; 4p7m; BDBM50399047; Q27453144; 2OE
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| Activity |
Ki = 101000 nM
|
[10] | |||
| Compound Name |
4-Oxo-4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)amino)butanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3261386; Oprea1_424158; ZINC424293; BDBM50013047; CCG-33427; AKOS002104016; MCULE-7139019144; F0341-0530; 4-oxo-4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}butanoic acid
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| Activity |
IC50 = 102120 nM
|
[8] | |||
| Compound Name |
3-(1H-Pyrazol-4-yl)benzoic Acid
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Investigative | Compound Info | ||
| Synonyms |
3-(1H-Pyrazol-4-yl)-benzoic acid; CHEMBL4214963; 3-(1 H -Pyrazol-4-yl)-benzoic acid; Benzoic acid, 3-(1H-pyrazol-4-yl)-; PubChem22757; 3-pyrazol-4-ylbenzoic acid; SCHEMBL1759327; CTK3J8696; DTXSID30428319; ZINC4294283; BDBM50458541; Benzoicacid,3-(1H-pyrazol-4-yl)-; MFCD06739075; SBB052732; 3-(1 h-pyrazol-4-yl)-benzoic acid; AKOS000314407; AB28538; FS-1840; MCULE-1648663882; BB 0261740; CS-0034079; FT-0690078; KS-00002593; 3-(1H-Pyrazol-4-yl)benzoic acid, AldrichCPR; K-0157
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| Activity |
Ki = 113000 nM
|
[11] | |||
| Compound Name |
[(E)-(4-Hydroxyphenyl)methylideneamino] 2,2-dimethylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257820; BDBM50373161
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| Activity |
IC50 = 113000 nM
|
[12] | |||
| Compound Name |
3-Nitroso-2-phenylindolizine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1253586; 2-phenyl-3-nitrosoindolizine; MLS001004754; SCHEMBL8205777; HMS2694I08; ZINC4159327; BDBM50326577; STK973651; AKOS001017057; MCULE-3595440884; SMR000348328; AB00591176-02; F3095-4799
Click to Show/Hide
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||||
| Activity |
IC50 = 120800 nM
|
[1] | |||
| Compound Name |
[(E)-(4-Hydroxyphenyl)methylideneamino] acetate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL257822; BDBM50373162
Click to Show/Hide
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||||
| Activity |
IC50 = 147000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PNU156804
Click to Show/Hide
|
Terminated | Compound Info | ||
| Synonyms |
Hexylglutathione; 24425-56-7; UNII-M73SNN908F; S-Hexyl-L-glutathione; L-gamma-glutamyl-S-hexyl-L-cysteinylglycine; NSC 131114; CHEMBL345292; M73SNN908F; CHEBI:27704; Glycine, N-(N-L-gamma-glutamyl-S-hexyl-L-cysteinyl)-; C16H29N3O6S; 1ydk; AC1L3YPR; GTX; S-Hexyl-L-glutathione reduced; SCHEMBL1158164; CTK4F3647; HXJDWCWJDCOHDG-RYUDHWBXSA-N; 2c80; ZINC3874923; BDBM50095998; AKOS015893910; DB04132; LS-174055; Glycine, L-g-glutamyl-S-hexyl-L-cysteinyl-; FT-0770776; C02886; Glycine, L-.gamma.-glutamyl
Click to Show/Hide
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||||
| Activity |
IC50 = 3300000 nM
|
[13] | |||
| Compound Name |
4-(3-Methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178862; 4p7s; BDBM50399046; Q27453151; 2OK
Click to Show/Hide
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||||
| Activity |
Ki = 270000 nM
|
[10] | |||
| Compound Name |
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL496378; 2-[(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol; SMR000168900; MLS000549317; HMS2361L05; KS-00001T6M; ZINC1385067; 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol; BDBM50265566; AKOS005081730; ZINC 01385067; MCULE-9429151138; 12W-0204; 2-((4-(biphenyl-4-yl)thiazol-2-yl)methyl)thiazol-4-ol
Click to Show/Hide
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||||
| Activity |
IC50 = 300000 nM
|
[14] | |||
| Compound Name |
4-Hydroxybenzaldehyde methyl(phenyl)hydrazone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL222847; BDBM50209088; AKOS000998334
Click to Show/Hide
|
||||
| Activity |
IC50 = 300000 nM
|
[5] | |||
| Compound Name |
4-(3,4-Dichlorobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL496579; Oprea1_276723; ZINC78896; BDBM50265567; CCG-52265; MCULE-3172099686; SR-01000641509-1; BRD-K66300407-001-01-7
Click to Show/Hide
|
||||
| Activity |
IC50 = 430000 nM
|
[14] | |||
| Compound Name |
4-(4-(3-Methylbenzyl)-1H-1,2,3-triazol-1-yl)phenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1288978; BDBM50331396
Click to Show/Hide
|
||||
| Activity |
IC50 = 475000 nM
|
[7] | |||
| Compound Name |
7-{[(3-Fluorophenyl)amino]-2-pyridylmethyl}quinolin-8-ol
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL498410; SCHEMBL15783198; BDBM50265488; STL486695; AKOS000809507; AKOS016089281; ZINC 00079248; MCULE-5847558256; ST50110956; 7-((3-fluorophenylamino)(pyridin-2-yl)methyl)quinolin-8-ol; 7-{[(3-fluorophenyl)amino](pyridin-2-yl)methyl}quinolin-8-ol
Click to Show/Hide
|
||||
| Activity |
IC50 = 530000 nM
|
[14] | |||
| Compound Name |
4-(4-(2,3-Dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289844; BDBM50331400
Click to Show/Hide
|
||||
| Activity |
IC50 = 530000 nM
|
[7] | |||
| Compound Name |
4-(4-(4-Hydroxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289010; BDBM50331398
Click to Show/Hide
|
||||
| Activity |
IC50 = 690000 nM
|
[7] | |||
| Compound Name |
2-(1-Benzofuran-2-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498412; SCHEMBL2757824; ZINC4941804; BDBM50265487; STK291534; AKOS003377667; ZINC 04941804; 2-(benzofuran-2-yl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
Click to Show/Hide
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||||
| Activity |
IC50 = 730000 nM
|
[14] | |||
| Compound Name |
4-(1-(Pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1288319; BDBM50331402
Click to Show/Hide
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||||
| Activity |
IC50 = 970000 nM
|
[7] | |||
| Compound Name |
3-Benzoylbenzofuran-5-yl hydroperoxymethyl ketone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid; Ketone, 3-benzoylbenzofuran-5-yl hydroperoxymethyl; MLS000061828; CHEMBL496153; SMR000070306; Benzofuran, 3-benzoyl-5-(hydroperoxyacetyl)-; Acetic acid, ((3-benzoyl-5-benzofuranyl)oxy)-; Opera_ID_1988; CBKinase1_001111; CBKinase1_013511; Cambridge id 5849827; Oprea1_660950; 2-(3-BENZOYLBENZOFURAN-5-YL)OXYACETIC ACID; cid_755496; SCHEMBL3267235; CTK5E9348; DTXSID90231548; HMS1611C06; HMS2332L23; ZINC210167; BDBM50265521; CCG-17900; STK526486; AKOS001486755; ZINC 00210167; MCULE-3037035712; 2-(3-benzoylbenzofuran-5-yloxy)acetic acid; 2-(3-benzoylbenzo[b]furan-5-yl)oxyacetic acid; AH-262/34641029; BRD-K74174367-001-01-4; {[3-(phenylcarbonyl)-1-benzofuran-5-yl]oxy}acetic acid
Click to Show/Hide
|
||||
| Activity |
IC50 = 980000 nM
|
[14] | |||
| Compound Name |
2-((1-(4-Hydroxyphenyl)-1H-1,2,3-triazol-4-yl)methyl)phenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289008; BDBM50331397
Click to Show/Hide
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||||
| Activity |
IC50 = 1000000 nM
|
[7] | |||
| Compound Name |
1-Hexanethiol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Hexane-1-thiol; Hexyl mercaptan; n-Hexyl mercaptan; Hexanethiol; 1-Mercaptohexane; 1-Hexylthiol; Hexylthiol; n-Hexanethiol; n-Hexylthiol; n-Hexylmercaptan; Hexan-1-thiol; USAF EK-4628; Mercaptan C6; UNII-1KH2129A0Q; MFCD00004909; CHEMBL153339; 1KH2129A0Q; 1-Hexanethiol, 96%; EINECS 203-857-0; BRN 1731295; hexanthiol; 1-Hexanethiol, 95%; ACMC-1CUCC; CCCCCC[S]; 1-Hexanethiol, >=95%; DSSTox_CID_30126; DSSTox_GSID_51574; SCHEMBL22331; 4-01-00-01705 (Beilstein Handbook Reference); KSC176E3B; 1-Hexanethiol, 99% (GC); DTXSID0051574; CTK0H6230; FEMA 3842; KS-00000WQE; 1-Hexanethiol, analytical standard; NSC99106; ZINC3861659; Tox21_303860; ANW-16268; BDBM50095999; NSC-99106; AKOS015897424; FS-4087; MCULE-5962964855; NCGC00357125-01; DB-003180; FT-0652492; A802340; J-504659; Q10334930
Click to Show/Hide
|
||||
| Activity |
IC50 = 17400000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg Med Chem. 2010 Jul 15;18(14):5425-40. | ||||
| REF 2 | Inhibition of MIF bioactivity by rational design of pharmacological inhibitors of MIF tautomerase activity. J Med Chem. 2002 Jun 6;45(12):2410-6. | ||||
| REF 3 | Novel derivatives of ISO-1 as potent inhibitors of MIF biological function. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4773-6. | ||||
| REF 4 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor. Eur J Med Chem. 2015 Mar 26;93:501-10. | ||||
| REF 5 | Phenolic hydrazones are potent inhibitors of macrophage migration inhibitory factor proinflammatory activity and survival improving agents in sepsis. J Med Chem. 2007 Apr 19;50(8):1993-7. | ||||
| REF 6 | Synthesis and bio-evaluation of human macrophage migration inhibitory factor inhibitor to develop anti-inflammatory agent. Bioorg Med Chem. 2011 Dec 15;19(24):7365-73. | ||||
| REF 7 | Receptor agonists of macrophage migration inhibitory factor. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7033-6. | ||||
| REF 8 | Discovery of novel inhibitors targeting the macrophage migration inhibitory factor via structure-based virtual screening and bioassays. J Med Chem. 2014 May 8;57(9):3737-45. | ||||
| REF 9 | Critical modifications of the ISO-1 scaffold improve its potent inhibition of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3376-9. | ||||
| REF 10 | Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor. J Med Chem. 2012 Nov 26;55(22):10148-59. | ||||
| REF 11 | Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor. J Med Chem. 2018 Sep 27;61(18):8104-8119. | ||||
| REF 12 | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J Biol Chem. 2007 Aug 10;282(32):23089-95. | ||||
| REF 13 | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J Med Chem. 2001 Feb 15;44(4):540-7. | ||||
| REF 14 | Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24. | ||||
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