Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50038102 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)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB
Reactome pathway
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| Purchase
CHEMBL
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
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Similars
| 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 Sprague-Dawley rat testicular CYP17 |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50371480
(CHEMBL403808)Show InChI InChI=1S/C17H17FN2S/c1-3-17(20-7-6-19-11-20)14-5-4-13(8-16(14)18)15-10-21-9-12(15)2/h4-11,17H,3H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50371479
(CHEMBL403852)Show InChI InChI=1S/C16H15ClN2S/c1-2-15(19-9-8-18-11-19)13-5-3-12(4-6-13)14-7-10-20-16(14)17/h3-11,15H,2H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50371478
(CHEMBL403475)Show InChI InChI=1S/C16H16N2S/c1-2-16(18-9-8-17-12-18)14-5-3-13(4-6-14)15-7-10-19-11-15/h3-12,16H,2H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 373 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50371478
(CHEMBL403475)Show InChI InChI=1S/C16H16N2S/c1-2-16(18-9-8-17-12-18)14-5-3-13(4-6-14)15-7-10-19-11-15/h3-12,16H,2H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 562 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat testicular CYP17 |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50371481
(CHEMBL402971)Show InChI InChI=1S/C17H18N2S/c1-3-17(19-9-8-18-12-19)15-6-4-14(5-7-15)16-11-20-10-13(16)2/h4-12,17H,3H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | BDBM50371482
(CHEMBL273191)Show InChI InChI=1S/C15H14N2S/c1-12(17-8-7-16-11-17)13-2-4-14(5-3-13)15-6-9-18-10-15/h2-12H,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat testicular CYP17 |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50371482
(CHEMBL273191)Show InChI InChI=1S/C15H14N2S/c1-12(17-8-7-16-11-17)13-2-4-14(5-3-13)15-6-9-18-10-15/h2-12H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 953 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
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
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase |
Bioorg Med Chem 16: 1992-2010 (2008)
Article DOI: 10.1016/j.bmc.2007.10.094
BindingDB Entry DOI: 10.7270/Q29W0GBN |
More data for this
Ligand-Target Pair | |
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