Found 13 hits of ki data for polymerid = 50000238 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 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50031880
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)cc(c1)C(C)(C)C |t:16| Show InChI InChI=1S/C33H48N2O2/c1-30(2,3)20-15-21(31(4,5)6)17-22(16-20)35-29(37)27-10-9-25-24-19-34-28-18-23(36)11-13-33(28,8)26(24)12-14-32(25,27)7/h15-17,24-27H,9-14,18-19H2,1-8H3,(H,35,37)/t24?,25?,26?,27-,32+,33-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50031892
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1 |t:7| Show InChI InChI=1S/C25H32N2O2/c1-24-13-11-20-18(15-26-22-14-17(28)10-12-25(20,22)2)19(24)8-9-21(24)23(29)27-16-6-4-3-5-7-16/h3-7,18-21H,8-15H2,1-2H3,(H,27,29)/t18?,19?,20?,21-,24+,25-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50039266
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES COC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:10| Show InChI InChI=1S/C20H29NO3/c1-19-9-7-15-13(14(19)4-5-16(19)18(23)24-3)11-21-17-10-12(22)6-8-20(15,17)2/h13-16H,4-11H2,1-3H3/t13?,14?,15?,16-,19+,20-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50057484
((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12 |t:39| Show InChI InChI=1S/C28H32F6N2O2/c1-14-22(37)9-11-26(3)18-8-10-25(2)17(16(18)13-35-23(14)26)6-7-20(25)24(38)36-21-12-15(27(29,30)31)4-5-19(21)28(32,33)34/h4-5,12,14,16-18,20H,6-11,13H2,1-3H3,(H,36,38)/t14?,16?,17?,18?,20-,25+,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50039298
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 |t:7| Show InChI InChI=1S/C32H38N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27,29H,13-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50031889
((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C4CCCC4)c4ccc(Cl)cc4)C3CN=C12 |t:38| Show InChI InChI=1S/C31H41ClN2O2/c1-19-27(35)15-17-31(3)25-14-16-30(2)24(23(25)18-33-28(19)31)12-13-26(30)29(36)34(21-6-4-5-7-21)22-10-8-20(32)9-11-22/h8-11,19,21,23-26H,4-7,12-18H2,1-3H3/t19?,23?,24?,25?,26-,30+,31-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50039286
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES [H][C@@]12CC[C@H](C(=O)OC3[C@@]4([H])C[C@]5([H])C[C@@]([H])(C[C@@]3([H])C5)C4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CNC2=CC(=O)CC[C@]12C |wU:4.4,22.26,38.45,9.9,12.12,28.33,wD:18.19,15.15,1.0,26.30,t:37,TLB:21:9:20:15.17.14,21:15:20:8.9.11,THB:7:8:20:15.17.14,14:15:8:12.20.11,14:12:8:15.21.17,(6.48,-14.35,;6.48,-12.81,;7.93,-13.3,;8.85,-12.07,;7.96,-10.81,;8.36,-9.31,;7.26,-8.21,;9.84,-8.89,;10.94,-9.98,;12.28,-9.5,;12.32,-7.96,;11.25,-10.74,;11.25,-12.33,;11.18,-13.87,;12.66,-12.89,;13.69,-11.62,;15.14,-12.14,;12.28,-11.96,;10.95,-11.46,;9.52,-10.9,;9.75,-12.75,;13.69,-10.09,;6.5,-11.27,;6.48,-9.73,;5.18,-10.48,;3.82,-11.23,;3.81,-12.77,;3.81,-14.31,;5.13,-13.57,;5.13,-12.03,;5.14,-15.1,;3.8,-15.86,;2.46,-15.09,;1.15,-15.86,;-.18,-15.09,;-1.52,-15.86,;-.18,-13.55,;1.15,-12.77,;2.48,-13.55,;2.46,-12,)| Show InChI InChI=1S/C29H41NO3/c1-28-8-6-23-21(15-30-25-14-20(31)5-7-29(23,25)2)22(28)3-4-24(28)27(32)33-26-18-10-16-9-17(12-18)13-19(26)11-16/h14,16-19,21-24,26,30H,3-13,15H2,1-2H3/t16-,17+,18-,19+,21-,22-,23-,24+,26?,28-,29+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50039293
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(morpholine-4-carb...)Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCOCC1 |t:7| Show InChI InChI=1S/C23H34N2O3/c1-22-8-6-18-16(14-24-20-13-15(26)5-7-23(18,20)2)17(22)3-4-19(22)21(27)25-9-11-28-12-10-25/h16-19H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50057500
((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...)Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |t:7| Show InChI InChI=1S/C27H29ClF6N2O2/c1-24-9-7-16-14(12-35-22-21(28)20(37)8-10-25(16,22)2)15(24)5-6-18(24)23(38)36-19-11-13(26(29,30)31)3-4-17(19)27(32,33)34/h3-4,11,14-16,18,21H,5-10,12H2,1-2H3,(H,36,38)/t14?,15?,16?,18-,21?,24+,25-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50031897
((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...)Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCC1)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C30H38Cl2N2O2/c1-29-15-13-23-21(17-33-27-26(32)25(35)14-16-30(23,27)2)22(29)11-12-24(29)28(36)34(19-5-3-4-6-19)20-9-7-18(31)8-10-20/h7-10,19,21-24,26H,3-6,11-17H2,1-2H3/t21?,22?,23?,24-,26?,29+,30-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50039259
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C32H36Cl2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50031877
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F |t:20| Show InChI InChI=1S/C30H39F3N2O2/c1-27(2,3)22-7-6-17(30(31,32)33)14-24(22)35-26(37)23-9-8-20-19-16-34-25-15-18(36)10-12-29(25,5)21(19)11-13-28(20,23)4/h6-7,14,19-21,23H,8-13,15-16H2,1-5H3,(H,35,37)/t19?,20?,21?,23-,28+,29-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
(Homo sapiens (Human)) | BDBM50334788
((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...)Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity for 3-beta-hydroxysteroid dehydrogenase |
J Med Chem 40: 1293-315 (1997)
Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN |
More data for this
Ligand-Target Pair | |
Search and Browse
