Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50004852 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 |
|---|
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029238
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029237
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029237
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029228
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9| Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029228
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9| Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029240
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029229
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11| Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029229
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11| Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029230
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029241
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029238
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029242
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029242
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029240
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029236
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029226
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10| Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029226
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10| Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029227
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029227
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029242
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029242
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular C17,20-Lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029232
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029230
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029230
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)| Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029241
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029239
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029238
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029233
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17| Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029236
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029239
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029238
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029232
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029238
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular C17,20-Lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029235
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)| Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029232
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029239
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50029239
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Inhibition of rat testicular C17,20-Lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029231
(2-Methyl-2-pyridin-3-yl-propionic acid (3R,6R)-3,6...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C24H35NO2/c1-16-9-10-18-22(4,5)19-14-24(16,18)12-11-23(19,6)27-20(26)21(2,3)17-8-7-13-25-15-17/h7-8,13,15-16,18-19H,9-12,14H2,1-6H3/t16-,18?,19?,23-,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029233
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17| Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029234
(CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029234
(CHEMBL134748 | Pyridin-2-yl-acetic acid (S)-2,6,6-...)Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3| Show InChI InChI=1S/C17H23NO2/c1-11-14-8-12(17(14,2)3)9-15(11)20-16(19)10-13-6-4-5-7-18-13/h4-7,11-12,14-15H,8-10H2,1-3H3/t11-,12?,14?,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular C17,20-Lyase. |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029237
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8| Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029227
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029235
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)| Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029235
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)| Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029240
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3| Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50029228
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9| Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1 |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50029231
(2-Methyl-2-pyridin-3-yl-propionic acid (3R,6R)-3,6...)Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9| Show InChI InChI=1S/C24H35NO2/c1-16-9-10-18-22(4,5)19-14-24(16,18)12-11-23(19,6)27-20(26)21(2,3)17-8-7-13-25-15-17/h7-8,13,15-16,18-19H,9-12,14H2,1-6H3/t16-,18?,19?,23-,24?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this
Ligand-Target Pair | |
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