Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56556 | Target Info | |||
| Target Name | ATP-binding cassette transporter G2 (ABCG2) | ||||
| Synonyms |
Urate exporter; Placenta-specific ATP-binding cassette transporter; Mitoxantrone resistance-associated protein; MXR; CDw338; CD338; Breast cancer resistance protein; BCRP1; BCRP; ABCP
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| Target Type | Successful Target | ||||
| Gene Name | ABCG2 | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 53 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Erlotinib
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Approved | Compound Info | ||
| Synonyms |
Erlotinin; Tarceva; Erlotinib Base; OSI 744; R 1415; CP 358,774; CP-358774; Erlotinib(Tarceva); Tarceva (TN); CP-358,774; Erlotinib, OS-774; N-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-Quinazolinamine; [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE; [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; 4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
Verapamil
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Approved | Compound Info | ||
| Synonyms |
Arpamyl; Calan; Calcan; Cordilox; Dexverapamil; Dilacoran; Drosteakard; Iproveratril; Isoptimo; Isoptin; Isotopin; Vasolan; Veracim; Verapamilo; Verapamilum; Veraptin; Verexamil; Bosoptin (TN); Calan (TN); D-365; Isoptin (TN); Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]; Verelan (TN); CP-16533-1; Covera-HS (TN); Verapamil (USAN/INN); Verapamil [USAN:BAN:INN]; Verapamil [USAN:INN:BAN]; Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; (+-)-Verapamil; (+/-)-VERAPAMIL; (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verapamil (Na-Ca chanel blocker)
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Novobiocin
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Approved | Compound Info | ||
| Synonyms |
Albamix; Albamycin; Cardelmycin; Cathocin; Cathomycin; Inamycin; NOV; Novobiocina; Novobiocine; Novobiocinum; Robiocina; Sirbiocina; Spheromycin; Stilbiocina; Streptonivicin; Crystallinic acid; Novobiocin sodium salt; PA 93; U 6391; Albamycin (TN); Antibiotic PA-93; Novo-R; Novobiocin [INN:BAN]; Novobiocina [INN-Spanish]; Novobiocine [INN-French]; Novobiocinum [INN-Latin]; Streptonivicin (*Sodium salt*); [(3R,4S,5R,6R)-5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate; N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl); (3R,4S,5R,6R)-5-hydroxy-6-{[4-hydroxy-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate; (3r,4s,5r,6r)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-4-oxo-4h-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2h-pyran-4-yl carbamate(non-preferred name); 7-(3-(O-Carbamoyl)-4-(O-methyl)-5,5-dimethyl-alpha-L-lyxopyranosyloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamidol)-8-methylcumarin; 7-(Carbamoyltetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamide)-8-methyl-2H-chromen-2-one
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| Activity |
IC50 = 66069.34 nM
|
[3] | |||
| Compound Name |
Dolutegravir
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Approved | Compound Info | ||
| Synonyms |
1051375-16-6; GSK1349572; Tivicay; S/GSK1349572; Dolutegravir (GSK1349572); S-349572; GSK-1349572; GSK 1349572; UNII-DKO1W9H7M1; (4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-Carboxamide; CHEBI:76010; DKO1W9H7M1; Tivicay (TN); (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide; Dolutegravir Sodium (
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| Activity |
IC50 = 67000 nM
|
[4] | |||
| Compound Name |
Progesterone
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Approved | Compound Info | ||
| Synonyms |
progesterone; 57-83-0; Agolutin; Pregn-4-ene-3,20-dione; Luteohormone; Crinone; 4-Pregnene-3,20-dione; Utrogestan; Syngesterone; Progestin; Luteol; Corpus luteum hormone; Progesterol; Progesteronum; Pregnenedione; Glanducorpin; Prometrium; Corlutin; Cyclogest; Progestron; Gestormone; Progestone; Gestone; Progestasert; Progestronol; Methylpregnone; Hormoflaveine; Syngestrets; Proluton; Progekan; Nalutron; Lutoform; Gynlutin; Gesterol; Fologenon; Corporin; Corlutina; Syntolutan; Prolidon; Membrettes; Lutocyclin; Luteodyn; Lucorteum; Corluvite; LPCN-1107; Progesterone (oral, preterm labor); Progesterone (oral, preterm labor), Lipocine
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| Activity |
IC50 = 125892.54 nM
|
[3] | |||
| Compound Name |
Glibenclamide
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Approved | Compound Info | ||
| Synonyms |
Abbenclamide; Adiab; Azuglucon; Bastiverit; Benclamin; Betanase; Calabren; Cytagon; Daonil; Debtan; Diabeta; Diabiphage; Dibelet; Duraglucon; Euclamin; Euglucan; Euglucon; Euglykon; Gewaglucon; Gilemal; Glamide; Glibadone; Gliban; Gliben; Glibenbeta; Glibenclamida; Glibenclamidum; Glibenil; Glibens; Glibesyn; Glibet; Glibetic; Glibil; Gliboral; Glicem; Glidiabet; Glimel; Glimide; Glimidstata; Glisulin; Glitisol; Glubate; Gluben; Glucobene; Glucohexal; Glucolon; Glucomid; Glucoremed; Glucoven; Glyben; Glybenclamide; Glybenzcyclamide; Glyburide; Glycolande; Glycomin; Glynase; Hexaglucon; Humedia; Lederglib; Libanil; Lisaglucon; Maninil; Melix; Micronase; Miglucan; Nadib; Neogluconin; Normoglucon; Orabetic; Pira; Praeciglucon; PresTab; Prodiabet; Renabetic; Sugril; Suraben; Tiabet; Yuglucon; Euglucon N; Glibenclamid AL; Glibenclamid Basics; Glibenclamid Fabra; Glibenclamid Genericon; Glibenclamid Heumann; Glibenclamid Riker M; Glyburide [USAN]; Micronized glyburide; Betanese 5; Euglucon 5; G 0639; GBN 5; HB 419; HB 420; HB419; HB420; Norglicem 5; U 26452; UR 606; Apo-Glibenclamide; Daonil (TN); Dia-basan; Diabeta (TN); Euglucon (TN); Gen-Glybe; Gliben-Puren N; Glibenclamid Riker M.; Glibenclamid-Cophar; Glibenclamid-Ratiopharm; Glibenclamida [INN-Spanish]; Glibenclamidum [INN-Latin]; Gluco-Tablimen; Glyburide (USP); Glyburide (micronized); Glynase (TN); HB-419; HB-420; Hemi-Daonil; Med-Glionil; Micronase (TN); Novo-Glyburide; Semi-Euglucon; Semi-daonil; U-26452; Glibenclamide (JP15/INN); Semi-Daonil (TN); Semi-Gliben-Puren N; N-p-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzenesulfonyl-N'-cyclohexylurea; N-p-[2-(5-Chloro-2-methoxybenzamido)-ethyl]benzene-sulfonyl-N-cyclohexylurea; N-(4-(2-(5-Chloro-2-methoxybenzamido)ethyl)phenylsulfonyl)-N'-cyclohexylurea; 1-((p-(2-(5-Chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea; 1-(p-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea; 5-Chloro-N-[4-(cyclohexylureidosulfonyl)phenethyl]-2-methoxybenzamide; 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
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| Activity |
IC50 = 150000 nM
|
[5] | |||
| Compound Name |
PF-06840003
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Phase 1 | Compound Info | ||
| Synonyms |
3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione; 198474-05-4; PF06840003; 2,5-Pyrrolidinedione, 3-(5-fluoro-1H-indol-3-yl)-; 3-(5-fluoro-indol-3-yl)-pyrrolidine-2,5-dione; SCHEMBL5463464; GTPL9565; CTK0A0183; DTXSID00630149; MXKLDYKORJEOPR-UHFFFAOYSA-N; KS-000008MY; EX-A1186; EOS200271; AKOS027252536; CS-6186; AS-51973; HY-101111; 3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-2,5-dione
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| Activity |
IC50 = 65400 nM
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[6] | |||
| Compound Name |
Cyclosporin A
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Phase 2 Trial | Compound Info | ||
| Synonyms |
cyclosporin A; cyclosporine; Neoral; Cyclosporin; Ciclosporine; Sandimmun; Sang-35
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| Activity |
IC50 = 63095.73 nM
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[3] | |||
| Compound Name |
4-[[4-[2-[6-Methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779523
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| Activity |
IC50 ~ 50000 nM
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[7] | |||
| Compound Name |
4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779520
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| Activity |
IC50 ~ 50000 nM
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[7] | |||
| Compound Name |
4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779521
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| Activity |
IC50 ~ 50000 nM
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[7] | |||
| Compound Name |
N-(4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258456; BDBM50241470; N-{4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-2-nitrobenzamide
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| Activity |
IC50 = 51300 nM
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[8] | |||
| Compound Name |
1,2-Dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL270559; BDBM50372882
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| Activity |
EC50 = 58000 nM
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[9] | |||
| Compound Name |
1-(2-Aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)-phenyl)urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL472818; BDBM50248988; 1-(2-aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)urea
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| Activity |
IC50 = 58400 nM
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[8] | |||
| Compound Name |
3-[(2-Pyridin-4-ylquinazolin-4-yl)amino]benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL7280956; CHEMBL4072629
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| Activity |
IC50 = 60000 nM
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[10] | |||
| Compound Name |
N-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-4,5-dimethoxy-2-nitrobenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258574; SCHEMBL21545139; BDBM50411956; N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide
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| Activity |
IC50 = 64565.42 nM
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[3] | |||
| Compound Name |
2-[4-[(3,4-Difluorophenyl)methyl]piperazin-1-yl]-5,7-dimethoxychromen-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3764781; BDBM50139444
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| Activity |
IC50 = 66600 nM
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[11] | |||
| Compound Name |
4'-((6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-[1,1'-biphenyl]-4-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL260505; MC-70; BDBM50429195; ZINC29063979; J3.536.405F; 4'-[[6,7-Dimethoxy-3,4-dihydroisoquinoline-2(1H)-yl]methyl]-1,1'-biphenyl-4-ol
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| Activity |
EC50 = 73000 nM
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[12] | |||
| Compound Name |
1-(4-Aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)-phenyl)urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL474757; BDBM50249012; 1-(4-aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)urea
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| Activity |
IC50 = 74100 nM
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[8] | |||
| Compound Name |
1-(2-Aminophenyl)-3-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL472819; BDBM50248989
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| Activity |
IC50 = 74100 nM
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[8] | |||
| Compound Name |
2-Amino-N-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL259077; SCHEMBL4047475; BDBM50241466; 2-Amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}benzamide
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| Activity |
IC50 = 74131.02 nM
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[3] | |||
| Compound Name |
1,2-Dimethoxy-3-[[2-(2-phenylethyl)phenoxy]methyl]benzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL258611; BDBM50372883
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| Activity |
EC50 = 75000 nM
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[9] | |||
| Compound Name |
N-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL442464; BDBM50241472; N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-2-nitrobenzamide
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| Activity |
IC50 = 77600 nM
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[8] | |||
| Compound Name |
4-Amino-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL410897; BDBM50411960
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| Activity |
IC50 = 77624.71 nM
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[3] | |||
| Compound Name |
2-Amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL429515; SCHEMBL3885917; BDBM50241468; 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide; 2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoquinolin-2-yl)ethyl]phenyl}benzamide
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| Activity |
IC50 = 85113.8 nM
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[3] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]chromen-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3764296; BDBM50139445
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| Activity |
IC50 = 87800 nM
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[11] | |||
| Compound Name |
6,7-Dimethoxy-2-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dihydro-1H-isoquinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL260599; SCHEMBL14290811; BDBM50374731
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| Activity |
EC50 = 90000 nM
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[13] | |||
| Compound Name |
4-Amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL261632; BDBM50241464
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| Activity |
IC50 = 98200 nM
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[8] | |||
| Compound Name |
4-[[4-(5,7-Dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763752; BDBM50139427
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| Activity |
IC50 = 99700 nM
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[11] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[2-(4-nitrophenyl)ethyl]piperazine-1-carbonyl]chromen-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763433; BDBM50139439
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
2-[4-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397131; BDBM50436429
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| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
3-(4-Hydroxyphenyl)-N-(4-hydroxystyryl)acrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL599746; BDBM50307015
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
2-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397135; BDBM50436425
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| Activity |
EC50 ~ 100000 nM
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[14] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperazin-1-yl]chromen-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763805; BDBM50139432
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
3-(4-Hydroxyphenyl)-N-(4-hydroxystyryl)-2-methoxypropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL599353; BDBM50307012
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-(4-Hydroxyphenyl)-2-methoxyacrylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL600469; SCHEMBL5607421; BDBM50307017; ZINC34826280; AKOS022060353; (Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]chromen-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3765802; BDBM50139447
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
Methyl 4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3764960; BDBM50139426
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
N-(4-Hydroxyphenethyl)-3-(4-hydroxyphenyl)-2-methoxypropanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL607573; BDBM50307014
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
N-(2-Hydroxy-2-(4-hydroxyphenyl)ethyl)-3-(4-hydroxyphenyl)-2-methoxyacrylamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL599747; BDBM50307016
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]chromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3765052; BDBM50139431
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
4-[3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]quinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397133; BDBM50436427
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]chromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763817; BDBM50139430
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
2-[5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]quinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397132; BDBM50436428
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
3-(4-(Benzyloxy)phenyl)-N-(4-hydroxystyryl)-2-methoxyacrylamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL602891; BDBM50307023
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
2-[3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]quinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397130; BDBM50436430
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763583; BDBM50139446
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
5,7-Dimethoxy-2-[4-[(4-nitrophenyl)methyl]piperazine-1-carbonyl]chromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3763302; BDBM50139440
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
2-[2-(3,4-Dimethoxyphenyl)ethylamino]-5,7-dimethoxychromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3765286; BDBM50139437
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
4-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779519
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-yloxyethanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2397134; BDBM50436426
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
1,2-Dimethoxy-3-((2-(3-methoxyphenethyl)phenoxy)methyl)benzene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL258610; BDBM50234481; 1-[(2,3-dimethoxybenzyl)oxy]-2-[2-(3-methoxyphenyl)ethyl]-benzene
Click to Show/Hide
|
||||
| Activity |
IC50 = 120000 nM
|
[16] | |||
| Compound Name |
1,2-Dimethoxy-4-((2-(3-methoxyphenethyl)phenoxy)methyl)benzene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL272836; BDBM50234479; 1-[(3,4-Dimethoxybenzyl)oxy]-2-[2-(3-methoxyphenyl)ethyl]-benzene
Click to Show/Hide
|
||||
| Activity |
IC50 = 150000 nM
|
[16] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Diltiazem
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Acalix; Adizem; Aldizem; Anoheal; Cardil; Cardizem; Citizem; Dilacor; Dilcontin; Dilren; Diltia; Diltiazemum; Dilticard; Diltzac; Dilzen; Endrydil; Viazem; Cardizen LA; Incoril AP; Tiazac Tildiem; Tiazac XC; Adizem (TN); Altiazem (TN); Angiozem (TN); Angizem (TN); Angizem CD (TN); Apo-Diltiaz; Cardizem (Hydrochloride); Cardizem (TN); Cartia XT (TN); Dilacor-XR; Dilatam (TN); Dilatem (TN); Dilcardia (TN); Dilcontin SR (TN); Dilt-cd; Dilta-Hexal; Diltelan (TN); Diltiazem (INN); Diltiazem [INN:BAN]; Diltiazemum [INN-Latin]; Diltime (TN); Dilzem (TN); Dyalec (TN); Filazem (TN); Herben (TN); Nu-Diltiaz; Progor (TN); RG 83606 (Hydrochloride); Surazem (TN); Tiamate (TN); Tiazac (TN); Tiazac XC (TN); Tildiem (TN); Vasmulax (TN); Viazem (TN); Zandil (TN); Zemtrial (TN); D-cis-Diltiazem; MK-793 (Malate); [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate; Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester; (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate; (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate; (2S,3S)-5-[2-(dimethylamino)ethyl]-2-[4-(methyloxy)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate; (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 851138.04 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. J Med Chem. 2012 May 24;55(10):4740-63. | ||||
| REF 2 | High-affinity interaction of tyrosine kinase inhibitors with the ABCG2 multidrug transporter. Mol Pharmacol. 2004 Jun;65(6):1485-95. | ||||
| REF 3 | Structure-activity relationships of new inhibitors of breast cancer resistance protein (ABCG2). Bioorg Med Chem. 2008 Sep 1;16(17):8224-36. | ||||
| REF 4 | In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitor. Drug Metab Dispos. 2013 Feb;41(2):353-61. | ||||
| REF 5 | Transport of glyburide by placental ABC transporters: implications in fetal drug exposure. Placenta. Nov-Dec 2006;27(11-12):1096-102. | ||||
| REF 6 | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J Med Chem. 2017 Dec 14;60(23):9617-9629. | ||||
| REF 7 | Solid phase synthesis of tariquidar-related modulators of ABC transporters preferring breast cancer resistance protein (ABCG2). Bioorg Med Chem Lett. 2011 Jun 15;21(12):3654-7. | ||||
| REF 8 | Novel lead for potent inhibitors of breast cancer resistance protein (BCRP). Bioorg Med Chem Lett. 2010 Jan 1;20(1):180-3. | ||||
| REF 9 | Synthesis and biological evaluation of (hetero)arylmethyloxy- and arylmethylamine-phenyl derivatives as potent P-glycoprotein modulating agents. J Med Chem. 2008 Mar 13;51(5):1415-22. | ||||
| REF 10 | 4-Anilino-2-pyridylquinazolines and -pyrimidines as Highly Potent and Nontoxic Inhibitors of Breast Cancer Resistance Protein (ABCG2). J Med Chem. 2017 May 25;60(10):4474-4495. | ||||
| REF 11 | Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization. Eur J Med Chem. 2016 Feb 15;109:124-33. | ||||
| REF 12 | New tetrahydroisoquinoline-based P-glycoprotein modulators: decoration of the biphenyl core gives selective ligands. Medchemcomm. 2018 Apr 3;9(5):862-869. | ||||
| REF 13 | Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp. Bioorg Med Chem Lett. 2013 Mar 1;23(5):1370-4. | ||||
| REF 14 | Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments. Bioorg Med Chem Lett. 2013 Jul 1;23(13):3728-31. | ||||
| REF 15 | Synthesis and structure-activity relationship of botryllamides that block the ABCG2 multidrug transporter. Bioorg Med Chem Lett. 2010 Feb 15;20(4):1330-3. | ||||
| REF 16 | 2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological properties. J Med Chem. 2008 Dec 11;51(23):7602-13. | ||||
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