Found 139 hits with Last Name = 'ziegler' and Initial = 'e' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103345
(US8546392, 69)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335818
(6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103342
(US8546392, 64)Show InChI InChI=1S/C20H19NO3/c1-13(22)21-19-9-7-17(12-20(19)24-3)14-4-5-16-11-18(23-2)8-6-15(16)10-14/h4-12H,1-3H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 51: 2158-69 (2008)
Article DOI: 10.1021/jm701447v BindingDB Entry DOI: 10.7270/Q29G5NPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM103338
(US8546392, 59)Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335815
(CHEMBL1650658 | N-{3-[2-Hydroxy-6-(3-hydroxyphenyl...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103338
(US8546392, 59)Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50261942
(6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol | CHEMBL46...)Show InChI InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol |
J Med Chem 51: 4685-98 (2008)
Article DOI: 10.1021/jm800367k BindingDB Entry DOI: 10.7270/Q29S1QVM |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103336
(US8546392, 57)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H23NO3/c28-23-3-1-2-19(17-23)20-6-10-24-21(16-20)7-11-25(29)26(24)18-4-8-22(9-5-18)27-12-14-30-15-13-27/h1-11,16-17,28-29H,12-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50261942
(6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol | CHEMBL46...)Show InChI InChI=1S/C22H16O2/c23-19-8-4-7-16(14-19)17-9-11-20-18(13-17)10-12-21(24)22(20)15-5-2-1-3-6-15/h1-14,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335815
(CHEMBL1650658 | N-{3-[2-Hydroxy-6-(3-hydroxyphenyl...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335818
(6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103346
(US8546392, 70)Show SMILES CNC(=O)\C=C\c1cc(OC)cc(c1)-c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C22H21NO3/c1-23-22(24)9-4-15-10-19(14-21(11-15)26-3)17-5-6-18-13-20(25-2)8-7-16(18)12-17/h4-14H,1-3H3,(H,23,24)/b9-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM103346
(US8546392, 70)Show SMILES CNC(=O)\C=C\c1cc(OC)cc(c1)-c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C22H21NO3/c1-23-22(24)9-4-15-10-19(14-21(11-15)26-3)17-5-6-18-13-20(25-2)8-7-16(18)12-17/h4-14H,1-3H3,(H,23,24)/b9-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335817
(6-(3-hydroxyphenyl)-1-(6-methoxypyridin-3-yl)napht...)Show SMILES COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C22H17NO3/c1-26-21-10-7-17(13-23-21)22-19-8-5-15(11-16(19)6-9-20(22)25)14-3-2-4-18(24)12-14/h2-13,24-25H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335816
(1,6-Bis(3-hydroxyphenyl)-2-naphthol | CHEMBL165065...)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1 Show InChI InChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335820
(6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-3-1-2-15(13-18)16-4-6-19-17(12-16)5-7-20(24)21(19)14-8-10-22-11-9-14/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| US Patent
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335816
(1,6-Bis(3-hydroxyphenyl)-2-naphthol | CHEMBL165065...)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1 Show InChI InChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103337
(US8546392, 58)Show SMILES CC(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C24H19NO3/c1-15(26)25-20-6-2-5-19(13-20)24-22-10-8-17(12-18(22)9-11-23(24)28)16-4-3-7-21(27)14-16/h2-14,27-28H,1H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50261887
(1-Bromo-6-(3-hydroxyphenyl)-2-naphthol | CHEMBL467...)Show InChI InChI=1S/C16H11BrO2/c17-16-14-6-4-11(8-12(14)5-7-15(16)19)10-2-1-3-13(18)9-10/h1-9,18-19H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol |
J Med Chem 51: 4685-98 (2008)
Article DOI: 10.1021/jm800367k BindingDB Entry DOI: 10.7270/Q29S1QVM |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103340
(US8546392, 62)Show InChI InChI=1S/C22H23NO3/c1-23-22(24)9-4-15-10-19(14-21(11-15)26-3)17-5-6-18-13-20(25-2)8-7-16(18)12-17/h5-8,10-14H,4,9H2,1-3H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103344
(US8546392, 68)Show InChI InChI=1S/C20H19NO3/c1-21-20(22)17-9-16(11-19(12-17)24-3)14-4-5-15-10-18(23-2)7-6-13(15)8-14/h4-12H,1-3H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50179201
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental 17beta-HSD1 |
J Med Chem 51: 2158-69 (2008)
Article DOI: 10.1021/jm701447v BindingDB Entry DOI: 10.7270/Q29G5NPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335819
(1-(3-Aminophenyl)-6-(3-hydroxyphenyl)-2-naphthol |...)Show SMILES Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C22H17NO2/c23-18-5-1-4-17(12-18)22-20-9-7-15(11-16(20)8-10-21(22)25)14-3-2-6-19(24)13-14/h1-13,24-25H,23H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103347
(US8546392, 71)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(\C=C\C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C27H23NO3/c1-30-25-12-11-20-16-21(9-10-22(20)17-25)23-14-19(15-26(18-23)31-2)8-13-27(29)28-24-6-4-3-5-7-24/h3-18H,1-2H3,(H,28,29)/b13-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335820
(6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-3-1-2-15(13-18)16-4-6-19-17(12-16)5-7-20(24)21(19)14-8-10-22-11-9-14/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335821
(1-(3-Furyl)-6-(3-hydroxyphenyl)-2-naphthol | CHEMB...)Show InChI InChI=1S/C20H14O3/c21-17-3-1-2-13(11-17)14-4-6-18-15(10-14)5-7-19(22)20(18)16-8-9-23-12-16/h1-12,21-22H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103334
(US8546392, 19)Show SMILES CCOC(=O)\C=C\c1c(OC)ccc2cc(ccc12)-c1cccc(OC)c1 Show InChI InChI=1S/C23H22O4/c1-4-27-23(24)13-11-21-20-10-8-17(14-18(20)9-12-22(21)26-3)16-6-5-7-19(15-16)25-2/h5-15H,4H2,1-3H3/b13-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335815
(CHEMBL1650658 | N-{3-[2-Hydroxy-6-(3-hydroxyphenyl...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C23H19NO4S/c1-29(27,28)24-19-6-2-5-18(13-19)23-21-10-8-16(12-17(21)9-11-22(23)26)15-4-3-7-20(25)14-15/h2-14,24-26H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103339
(US8546392, 60)Show SMILES COc1cccc(c1)-c1ccc2c(c(OC)ccc2c1)-c1cccc(c1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H22N2O4S2/c1-32-22-7-3-5-18(16-22)19-9-11-24-20(15-19)10-12-25(33-2)26(24)21-6-4-8-23(17-21)35(30,31)29-27-28-13-14-34-27/h3-17H,1-2H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103343
(US8546392, 66)Show InChI InChI=1S/C20H19NO3/c1-21-20(22)18-11-16-9-14(7-8-15(16)12-19(18)24-3)13-5-4-6-17(10-13)23-2/h4-12H,1-3H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335816
(1,6-Bis(3-hydroxyphenyl)-2-naphthol | CHEMBL165065...)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1 Show InChI InChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50168371
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental 17beta-HSD1 |
J Med Chem 51: 2158-69 (2008)
Article DOI: 10.1021/jm701447v BindingDB Entry DOI: 10.7270/Q29G5NPZ |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50168371
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol |
J Med Chem 51: 4685-98 (2008)
Article DOI: 10.1021/jm800367k BindingDB Entry DOI: 10.7270/Q29S1QVM |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50168371
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM103341
(US8546392, 63)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CCC(=O)Nc2ccccc2)cc(OC)c1 Show InChI InChI=1S/C27H25NO3/c1-30-25-12-11-20-16-21(9-10-22(20)17-25)23-14-19(15-26(18-23)31-2)8-13-27(29)28-24-6-4-3-5-7-24/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM103338
(US8546392, 59)Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335818
(6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50335818
(6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM103346
(US8546392, 70)Show SMILES CNC(=O)\C=C\c1cc(OC)cc(c1)-c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C22H21NO3/c1-23-22(24)9-4-15-10-19(14-21(11-15)26-3)17-5-6-18-13-20(25-2)8-7-16(18)12-17/h4-14H,1-3H3,(H,23,24)/b9-4+ | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5... |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335818
(6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...)Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM103338
(US8546392, 59)Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335817
(6-(3-hydroxyphenyl)-1-(6-methoxypyridin-3-yl)napht...)Show SMILES COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C22H17NO3/c1-26-21-10-7-17(13-23-21)22-19-8-5-15(11-16(19)6-9-20(22)25)14-3-2-4-18(24)12-14/h2-13,24-25H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| US Patent
| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50168371
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 51: 2158-69 (2008)
Article DOI: 10.1021/jm701447v BindingDB Entry DOI: 10.7270/Q29G5NPZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335817
(6-(3-hydroxyphenyl)-1-(6-methoxypyridin-3-yl)napht...)Show SMILES COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C22H17NO3/c1-26-21-10-7-17(13-23-21)22-19-8-5-15(11-16(19)6-9-20(22)25)14-3-2-4-18(24)12-14/h2-13,24-25H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| US Patent
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitaet des Saarlandes
US Patent
| Assay Description Inhibition assay using P450 CYP enzymes. |
US Patent US8546392 (2013)
BindingDB Entry DOI: 10.7270/Q2WW7G8P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335816
(1,6-Bis(3-hydroxyphenyl)-2-naphthol | CHEMBL165065...)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1 Show InChI InChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | |