Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94788 | Target Info | |||
| Target Name | Branched-chain-amino-acid transaminase 2 (BCAT2) | ||||
| Synonyms |
Placental protein 18; PP18; ECA39 protein; Branched-chain amino acid aminotransferase; BCAT2; BCAT(m); BCAT
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| Target Type | Literature-reported Target | ||||
| Gene Name | BCAT2 | ||||
| Biochemical Class | Transaminase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 21 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
5-Bromo-N-[(1S,3R)-3-(2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3809820; BDBM50173937
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| Activity |
IC50 ~ 50118.72 nM
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[1] | |||
| Compound Name |
5-Methyl-4-oxo-N-o-tolyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1450511; SMR000201213; MLS000582000; HMS1598C07; HMS2478A22; ZINC8682801; BDBM50162478; AKOS002245872; MCULE-2901682234; ST50206591; SR-01000294447; SR-01000294447-1
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| Activity |
IC50 = 50118.72 nM
|
[2] | |||
| Compound Name |
5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid; 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid; CHEMBL1965658; 5-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acid; 7-Methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-triene-8-carboxylate; NSC723454; ACMC-20biv9; TimTec1_008104; SCHEMBL263739; CTK4A0072; DTXSID50328084; HMS1557A08; ZINC8914169; 0434AA; ANW-61206; BBL008312; BDBM50162485; MFCD00463620; SBB014042; STK392444; STK607499; AKOS000271321; AKOS005543466; CCG-125304; MCULE-7344122869; NSC-723454; AS-41582; AB0080174; DB-058636; BB 0219079; FT-0677186; EN300-05849; VU0421942-2; Y-4685; AB00683643-01; 667M974; SR-01000368658; SR-01000368658-1; BRD-K38817857-001-02-8; 5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid; F3250-0612; 4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid; 5-Methyl-4-hydroxythieno[2,3-d]pyrimidine-6-carboxylic acid; 5-methyl-3,4-dihydrothieno[2,3-d]pyrimid-4-one-6-carboxylic acid; 5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid; Thieno[2,3-d]pyrimidine-6-carboxylic acid, 3,4-dihydro-5-methyl-4-oxo-; 5-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, AldrichCPR
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| Activity |
IC50 = 50118.72 nM
|
[2] | |||
| Compound Name |
4-Benzamidobenzamide
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Investigative | Compound Info | ||
| Synonyms |
4-(benzoylamino)benzamide; CHEMBL3794554; Cambridge id 5226739; Oprea1_433645; Oprea1_731619; ARONIS016845; SCHEMBL3902965; 4-(phenylcarbonylamino)benzamide; ZINC134027; 4-[(phenylcarbonyl)amino]benzamide; KS-000049EO; BDBM50162297; STK013942; AKOS000484683; MCULE-9606868589; ST027797; AB00075888-01; SR-01000199496; SR-01000199496-1
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| Activity |
IC50 = 50118.72 nM
|
[2] | |||
| Compound Name |
5-Methyl-N-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794452; Oprea1_678999; ZINC109472; BDBM50162460; MCULE-6891935646
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
Ethyl 2-[2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793462; BDBM50162320
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
5-Methyl-N-(3-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794063; BDBM50162468; ZINC33073417; MCULE-7117374391
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
3,5-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid; CHEMBL1578072; 3,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]-pyrimidine-6-carboxylic acid; 3,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid; 3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid; MLS000068855; 3,5-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid; TimTec1_007962; CTK4I7868; DTXSID20349605; HMS1556J20; HMS2379K12; ZINC109397; 3677AE; BDBM50162498; MFCD02928670; SBB018187; STK317904; 3,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]-pyrimidine-6-carboxylicacid; AKOS000103207; HR-0320; MCULE-9922281265; IDI1_033616; SMR000014950; DB-028936; FT-0730658; ST50028469; EN300-14556; W-9845; SR-01000366892; J-511353; SR-01000366892-1; Q27456264; Z104341092
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| Activity |
IC50 = 63095.73 nM
|
[2] | |||
| Compound Name |
5-Methyl-N-(1,2-oxazol-3-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794516; BDBM50162455
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
5-Methyl-N-(2-methylsulfonylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794537; BDBM50162304
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
N-Cyclopentyl-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792974; BDBM50162481
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| Activity |
IC50 ~ 63095.73 nM
|
[2] | |||
| Compound Name |
2-[(3R)-1-(5-Bromothiophene-2-carbonyl)pyrrolidin-3-yl]oxy-N-methyl-4-(2-methylphenyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623147
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| Activity |
IC50 = 64600 nM
|
[3] | |||
| Compound Name |
3-[3-[1-(5-Bromothiophene-2-carbonyl)pyrrolidin-3-yl]oxy-4-(methylcarbamoyl)phenyl]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623142
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| Activity |
IC50 = 74100 nM
|
[3] | |||
| Compound Name |
3-[3-[1-(2-Amino-5-bromobenzoyl)pyrrolidin-3-yl]oxy-4-(methylcarbamoyl)phenyl]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623141
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(3R)-1-(5-Bromothiophene-2-carbonyl)pyrrolidin-3-yl]oxy-N-methyl-4-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623148
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[1-(5-Bromothiophene-2-carbonyl)pyrrolidin-3-yl]oxy-N-methylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623149
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-[3-[1-[5-Bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]pyrrolidin-3-yl]oxy-4-(methylcarbamoyl)phenyl]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623140
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
6-Phenoxypyridazin-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793379; 3-Pyridazinamine, 6-phenoxy-; SCHEMBL3456351; CTK1A8410; DTXSID10495721; BDBM50162492
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| Activity |
IC50 = 125892.54 nM
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[2] | |||
| Compound Name |
3-Phenylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792651; phenylthiophenecarboxamide; SCHEMBL4445671; CTK7D3075; BDBM50162488; ZINC36379460; AKOS008982573; NE60617; EN300-45212
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| Activity |
IC50 = 158489.32 nM
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[2] | |||
| Compound Name |
[1,1'-Biphenyl]-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
2-Phenylbenzamide; (1,1'-Biphenyl)-2-carboxamide; 1,1'-biphenyl-2-carboxamide; CHEMBL3794311; biphenyl-2-carboxamide; 2-Biphenylcarboxamide; phenylbenzamide; biphenyl amide; EINECS 236-206-4; SCHEMBL132986; CTK0I2558; DTXSID80157501; ZINC497053; BDBM50162486; MFCD00075754; AKOS006242753; FT-0696665; AZ0001-0583; Z57336477
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| Activity |
IC50 = 158489.32 nM
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[2] | |||
| Compound Name |
2-Methanesulfonyl-N-phenylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793157; SCHEMBL16102705; 2-methylsulfonyl-N-phenylbenzamide; ZINC5222992; BDBM50162302; AKOS017053016; MCULE-4357080828; Z27781162
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| Activity |
IC50 = 199526.23 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 12 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
5-Methyl-4-oxo-N-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793494; BDBM50162456
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| Activity |
IC50 = 251188.64 nM
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[2] | |||
| Compound Name |
Benzeneacetic acid, 2-[(phenylamino)carbonyl]-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792724; ACMC-20mrt6; 2-[2-(phenylcarbamoyl)phenyl]acetic Acid; CTK0F6737; DTXSID90466974; BDBM50162301
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| Activity |
IC50 = 316227.77 nM
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[2] | |||
| Compound Name |
2-Ethoxy-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3617089; BDBM50118631
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| Activity |
IC50 = 501187.23 nM
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[2] | |||
| Compound Name |
3,5-Dimethyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793200; BDBM50162480
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| Activity |
IC50 > 630957.34 nM
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[2] | |||
| Compound Name |
5-Ethyl-2-Methyl-7-Oxo-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3617091; ZINC8927342; BDBM50118629; STK610256; STL560187; AKOS005545515; AKOS032398955; ZINC101207850; MCULE-4386810030; Q27455114; 5-ethyl-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile; 2-Methyl-5-ethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
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| Activity |
IC50 > 630957.34 nM
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[2] | |||
| Compound Name |
Benzanilide
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Investigative | Compound Info | ||
| Synonyms |
N-Phenylbenzamide; N-Benzoylaniline; Benzamide, N-phenyl-; N-Phenyl-benzamide; Benzoic acid anilide; UNII-AK1B12366O; Benzanilide, 98%; MFCD00003069; phenyl-N-benzamide; AK1B12366O; n-benzoyl aniline; NSC 3131; EINECS 202-292-7; ACMC-209roi; AI3-01046; N-Phenylbenzoic acid amide; TimTec1_003094; SCHEMBL31966; KSC487E0R; ARONIS003508; CHEMBL115523; SCHEMBL8861823; Benzanilide, analytical standard; DTXSID9059096; CTK3I7208; KS-00003WHN; NSC3131; HMS1542M14; ZINC142820; NSC-3131; ANW-40144; BDBM50162303; CCG-40583; SBB058065; STK036609; AKOS000492910; MCULE-2801857425; N-phenylbenzamide (triclinic polymorph); AC-21003; PS-11216; ST040200; DB-013672; B0016; FT-0622634; X4220; AE-641/31373004; Q421501; SR-01000630713-1; BRD-K72443974-001-01-0; F0808-0359
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| Activity |
IC50 > 630957.34 nM
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[2] | |||
| Compound Name |
(2-Hydroxy-2-phenylethyl)urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3794331; (beta-Hydroxyphenethyl)urea; BRN 2723089; Urea, (beta-hydroxyphenethyl)-; 1-13-00-00242 (Beilstein Handbook Reference); SCHEMBL3507313; CTK4F4821; DTXSID60947881; BDBM50162493; Urea,N-(2-hydroxy-2-phenylethyl)-; AKOS009096024; Urea, N-(2-hydroxy-2-phenylethyl)-; N-(2-Hydroxy-2-phenylethyl)carbamimidic acid
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| Activity |
IC50 = 794328.23 nM
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[2] | |||
| Compound Name |
N-(Pyrimidin-5-Yl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
benzamide,n-5-pyrimidinyl-; CHEMBL3793205; N-pyrimidin-5-ylbenzamide; SCHEMBL4243217; N-(5-Pyrimidinyl)benzenecarboxamide; BDBM50162499; ZINC89224272; AKOS033556392; Q27456266
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| Activity |
IC50 = 1000000 nM
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[2] | |||
| Compound Name |
3-Methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793003; CTK6C3630; BDBM50162496; AKOS026743232; HR-0336; MCULE-4649695547; NE20067; EN300-39050; Z394693552
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| Activity |
IC50 > 1258925.41 nM
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[2] | |||
| Compound Name |
2,1,3-Benzothiadiazol-5-ylmethanol
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Investigative | Compound Info | ||
| Synonyms |
Benzo[c][1,2,5]thiadiazol-5-ylmethanol; 2,1,3-Benzothiadiazole-5-methanol; CHEMBL3792871; ACMC-20a9lx; AMOT0177; SCHEMBL5262949; CTK3E7776; DTXSID20379962; ZINC158663; KS-00000MI4; ANW-63379; BDBM50162494; MFCD03086103; SBB066431; 2,1,3-Benzothiadiazole-5-methanol?; AKOS006228839; benzo[1,2,5]thiadiazol-5-ylmethanol; AM85062; SDCCGMLS-0065946.P001; 5-hydroxymethylbenzo-2,1,3-thiadiazole; benzo[1,2,5]thiadiazol-5-yl-methanol; 5-Hydroxymethylbenzo-2, 1,3-thiadiazole; AC-26509; AK-84487; DS-17442; FT-0608994; Y4601; 2,1,3-benzothiadiazol-5-ylmethanol, AldrichCPR; 795B517; A834133; benzo[3,4-c]1,2,5-thiadiazol-5-ylmethan-1-ol; J-519714
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| Activity |
IC50 > 1258925.41 nM
|
[2] | |||
| Compound Name |
2-(1,2-Benzisoxazol-3-yl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
1,2-Benzisoxazole-3-acetic Acid; 1,2-benzisoxazol-3-ylacetic acid; 2-(1,2-benzoxazol-3-yl)acetic acid; 2-(benzo[d]isoxazol-3-yl)acetic acid; benzo[d]isoxazol-3-yl-acetic acid; 2-(1,2-Benzoxazol-3-Yl)ethanoic Acid; CHEMBL3792472; 2-benzo[d]isoxazol-3-ylacetic acid; 1,2-benzoxazol-3-ylacetic acid; NSC179803; zlchem 388; PubChem8653; 2-(1,2-Benzisoxazol-3-yl)aceticacid; ACMC-1CTWL; Maybridge1_005391; Oprea1_695883; SCHEMBL75124; BEN014; CTK1D5750; HMS556N01; DTXSID80306794; EBD8849; ZLC0234; 1,2-benzisoxazol-3yl-acetic acid; ZINC161692; ACT05712; KS-000010JA; ANW-30685; BDBM50162495; CCG-44972; MFCD02180388; SBB053422; (1,2-Benzisoxazol-3-yl)acetic Acid; 2-benzo[d]isoxazol-3-yl-acetic acid; AKOS001105745; LS41523; MCULE-4494939468; NSC-179803; SB37328; SDCCGMLS-0066152.P001; VZ20387; 2-(benzo[d]isoxazol-3-yl)-acetic acid; AC-22758; AC-27285; SC-65108; (1,2-Benzisoxazol-3-yl)acetic acid 97%; AB0008592; DB-010704; DB-049825; B2912; FT-0608352; ST50949653; A-3144; AE-508/09521058; 10W-0718; J-506217; SR-01000634770-1; Q27463958; Z99600464; F2190-0005
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| Activity |
IC50 > 1258925.41 nM
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[2] | |||
| Compound Name |
2-Hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
2-Hydroxy-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide; CHEMBL3793258; 2-Hydroxy-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide; CTK8A1276; BDBM50162497; AKOS000126478; AKOS022175488; HR-0355; MCULE-4018955137; NE27221; DB-006162; FT-0646729; EN300-49584
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| Activity |
IC50 > 1258925.41 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. ACS Med Chem Lett. 2016 Feb 8;7(4):379-84. | ||||
| REF 2 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J Med Chem. 2016 Mar 24;59(6):2452-67. | ||||
| REF 3 | Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library. ACS Med Chem Lett. 2015 Jul 21;6(8):919-24. | ||||
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