Found 17 hits of Enzyme Inhibition Constant Data 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 |
|---|
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214637
(CHEMBL329988)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccc(CC(C)C)cc2)CC1 Show InChI InChI=1S/C41H49N3O6/c1-30(2)29-31-14-16-32(17-15-31)37(22-23-43-24-26-44(27-25-43)36-10-5-7-12-39(36)48-3)50-34-20-18-33(19-21-34)41(47)42-35-9-4-6-11-38(35)49-28-8-13-40(45)46/h4-7,9-12,14-21,30,37H,8,13,22-29H2,1-3H3,(H,42,47)(H,45,46) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214635
(CHEMBL41685)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C38H43N3O6/c1-28-13-15-29(16-14-28)34(21-22-40-23-25-41(26-24-40)33-9-4-6-11-36(33)45-2)47-31-19-17-30(18-20-31)38(44)39-32-8-3-5-10-35(32)46-27-7-12-37(42)43/h3-6,8-11,13-20,34H,7,12,21-27H2,1-2H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214747
(CHEMBL440146)Show SMILES CCc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(cc1)C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C39H45N3O6/c1-3-29-14-16-30(17-15-29)35(22-23-41-24-26-42(27-25-41)34-10-5-7-12-37(34)46-2)48-32-20-18-31(19-21-32)39(45)40-33-9-4-6-11-36(33)47-28-8-13-38(43)44/h4-7,9-12,14-21,35H,3,8,13,22-28H2,1-2H3,(H,40,45)(H,43,44) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214633
(CHEMBL321740)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(NC(=O)c3ccccc3OCCCC(O)=O)cc2)c2ccc(CC(C)C)cc2)CC1 Show InChI InChI=1S/C41H49N3O6/c1-30(2)29-31-14-16-32(17-15-31)37(22-23-43-24-26-44(27-25-43)36-10-5-7-12-39(36)48-3)50-34-20-18-33(19-21-34)42-41(47)35-9-4-6-11-38(35)49-28-8-13-40(45)46/h4-7,9-12,14-21,30,37H,8,13,22-29H2,1-3H3,(H,42,47)(H,45,46) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214628
(CHEMBL443536)Show SMILES CCc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(NC(=O)c2ccccc2OCCCC(O)=O)cc1 Show InChI InChI=1S/C39H45N3O6/c1-3-29-14-16-30(17-15-29)35(22-23-41-24-26-42(27-25-41)34-10-5-7-12-37(34)46-2)48-32-20-18-31(19-21-32)40-39(45)33-9-4-6-11-36(33)47-28-8-13-38(43)44/h4-7,9-12,14-21,35H,3,8,13,22-28H2,1-2H3,(H,40,45)(H,43,44) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214630
(CHEMBL317426)Show SMILES COc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(cc1)C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C38H43N3O7/c1-45-30-17-13-28(14-18-30)34(21-22-40-23-25-41(26-24-40)33-9-4-6-11-36(33)46-2)48-31-19-15-29(16-20-31)38(44)39-32-8-3-5-10-35(32)47-27-7-12-37(42)43/h3-6,8-11,13-20,34H,7,12,21-27H2,1-2H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214745
(CHEMBL262183)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C37H40BrN3O6/c1-45-35-10-5-3-8-32(35)41-24-22-40(23-25-41)21-20-33(27-12-16-29(38)17-13-27)47-30-18-14-28(15-19-30)37(44)39-31-7-2-4-9-34(31)46-26-6-11-36(42)43/h2-5,7-10,12-19,33H,6,11,20-26H2,1H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214746
(CHEMBL539174)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2cccc(C)c2)CC1 Show InChI InChI=1S/C38H43N3O6/c1-28-9-7-10-30(27-28)34(20-21-40-22-24-41(25-23-40)33-12-4-6-14-36(33)45-2)47-31-18-16-29(17-19-31)38(44)39-32-11-3-5-13-35(32)46-26-8-15-37(42)43/h3-7,9-14,16-19,27,34H,8,15,20-26H2,1-2H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214631
(CHEMBL101488)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(NC(=O)c3ccccc3OCCCC(O)=O)cc2)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C38H43N3O6/c1-28-13-15-29(16-14-28)34(21-22-40-23-25-41(26-24-40)33-9-4-6-11-36(33)45-2)47-31-19-17-30(18-20-31)39-38(44)32-8-3-5-10-35(32)46-27-7-12-37(42)43/h3-6,8-11,13-20,34H,7,12,21-27H2,1-2H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214627
(CHEMBL101576)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(NC(=O)c3ccccc3OCCCC(O)=O)cc2)c2ccccc2)CC1 Show InChI InChI=1S/C37H41N3O6/c1-44-35-15-8-6-13-32(35)40-25-23-39(24-26-40)22-21-33(28-10-3-2-4-11-28)46-30-19-17-29(18-20-30)38-37(43)31-12-5-7-14-34(31)45-27-9-16-36(41)42/h2-8,10-15,17-20,33H,9,16,21-27H2,1H3,(H,38,43)(H,41,42) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214629
(CHEMBL318243)Show SMILES COc1ccccc1N1CCN(CCCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccccc2)CC1 Show InChI InChI=1S/C38H43N3O6/c1-45-36-16-8-6-14-33(36)41-26-24-40(25-27-41)23-9-17-34(29-11-3-2-4-12-29)47-31-21-19-30(20-22-31)38(44)39-32-13-5-7-15-35(32)46-28-10-18-37(42)43/h2-8,11-16,19-22,34H,9-10,17-18,23-28H2,1H3,(H,39,44)(H,42,43) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214636
(CHEMBL318089)Show SMILES COc1ccccc1N1CCN(CCCCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccccc2)CC1 Show InChI InChI=1S/C39H45N3O6/c1-46-37-18-8-6-15-34(37)42-27-25-41(26-28-42)24-10-9-16-35(30-12-3-2-4-13-30)48-32-22-20-31(21-23-32)39(45)40-33-14-5-7-17-36(33)47-29-11-19-38(43)44/h2-8,12-15,17-18,20-23,35H,9-11,16,19,24-29H2,1H3,(H,40,45)(H,43,44) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214639
(CHEMBL39209)Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccccc2)CC1 Show InChI InChI=1S/C37H41N3O6/c1-44-35-15-8-6-13-32(35)40-25-23-39(24-26-40)22-21-33(28-10-3-2-4-11-28)46-30-19-17-29(18-20-30)37(43)38-31-12-5-7-14-34(31)45-27-9-16-36(41)42/h2-8,10-15,17-20,33H,9,16,21-27H2,1H3,(H,38,43)(H,41,42) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214634
(CHEMBL101778)Show SMILES COc1ccccc1N1CCN(CCCCCCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1 Show InChI InChI=1S/C34H43N3O6/c1-41-32-14-7-5-12-30(32)37-23-21-36(22-24-37)20-8-2-3-9-25-42-28-18-16-27(17-19-28)34(40)35-29-11-4-6-13-31(29)43-26-10-15-33(38)39/h4-7,11-14,16-19H,2-3,8-10,15,20-26H2,1H3,(H,35,40)(H,38,39) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214632
(CHEMBL102094)Show SMILES COc1ccccc1N1CCN(CCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1 Show InChI InChI=1S/C30H35N3O6/c1-37-28-10-5-3-8-26(28)33-18-16-32(17-19-33)20-22-38-24-14-12-23(13-15-24)30(36)31-25-7-2-4-9-27(25)39-21-6-11-29(34)35/h2-5,7-10,12-15H,6,11,16-22H2,1H3,(H,31,36)(H,34,35) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214638
(CHEMBL100401)Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1 Show InChI InChI=1S/C31H37N3O6/c1-38-29-11-5-3-9-27(29)34-20-18-33(19-21-34)17-7-23-39-25-15-13-24(14-16-25)31(37)32-26-8-2-4-10-28(26)40-22-6-12-30(35)36/h2-5,8-11,13-16H,6-7,12,17-23H2,1H3,(H,32,37)(H,35,36) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50214512
(CHEMBL319586)Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1 Show InChI InChI=1S/C32H39N3O6/c1-39-30-12-5-3-10-28(30)35-21-19-34(20-22-35)18-6-7-23-40-26-16-14-25(15-17-26)32(38)33-27-9-2-4-11-29(27)41-24-8-13-31(36)37/h2-5,9-12,14-17H,6-8,13,18-24H2,1H3,(H,33,38)(H,36,37) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeria Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat |
Bioorg Med Chem Lett 8: 2967-72 (1998)
BindingDB Entry DOI: 10.7270/Q2K35WVS |
More data for this
Ligand-Target Pair | |
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