Found 11 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 |
|---|
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50174298
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3 | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50239401
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9| Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD1 (unknown origin) expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to cortisol by SPA assay |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50241490
(CHEMBL257010 | N-(3-((4aR,8aS)-decahydroquinoline-...)Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC[C@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C23H26N2O2/c26-22(18-9-2-1-3-10-18)24-20-13-6-11-19(16-20)23(27)25-15-7-12-17-8-4-5-14-21(17)25/h1-3,6,9-11,13,16-17,21H,4-5,7-8,12,14-15H2,(H,24,26)/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Pichia pastoris |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50117901
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50117900
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50117901
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50174298
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3 | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50239401
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9| Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of 11beta-HSD2 (unknown origin) expressed in CHO-K1 cells assessed as conversion of [3H]cortisol to cortisone by SPA assay |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50117900
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50117900
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50117901
(2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...)Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD2 |
J Med Chem 51: 4851-7 (2008)
Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD |
More data for this
Ligand-Target Pair | |
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