Found 32 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 |
|---|
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 11betaHSD1 in human isolated adipocytes using [3H]cortisone as substrate after 6 hrs by flow scintillation analysis |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392222
(CHEMBL2153178)Show SMILES CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:23:20:14.13.15:17,21:20:14.13.15:17| Show InChI InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)/t12?,13-,14+,16-,19- | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392223
(CHEMBL2153179)Show SMILES CCCSc1ncccc1C(=O)N(C)[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:24:21:15.14.16:18,22:21:15.14.16:18| Show InChI InChI=1S/C20H28N2O2S/c1-3-7-25-18-16(5-4-6-21-18)19(23)22(2)17-14-8-13-9-15(17)12-20(24,10-13)11-14/h4-6,13-15,17,24H,3,7-12H2,1-2H3/t13?,14-,15+,17-,20- | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392219
(CHEMBL2153175)Show InChI InChI=1S/C16H24N2OS/c1-3-12-20-15-14(10-7-11-17-15)16(19)18(2)13-8-5-4-6-9-13/h7,10-11,13H,3-6,8-9,12H2,1-2H3 | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392236
(CHEMBL2153302)Show SMILES CCCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O4/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392234
(CHEMBL2153190 | US8673938, 1)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392228
(CHEMBL2153184)Show SMILES CCCSc1nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)ccc1C(=O)NC1CCCCC1 |r,wU:9.8,wD:12.15,(10.12,-45.01,;8.78,-45.78,;7.45,-45.01,;7.45,-43.47,;6.11,-42.7,;4.77,-43.48,;3.44,-42.7,;2.11,-43.47,;.77,-42.7,;-.56,-43.47,;-.56,-45.01,;-1.9,-45.78,;-3.23,-45,;-3.22,-43.46,;-1.89,-42.7,;-4.57,-45.77,;-5.9,-44.99,;-4.58,-47.31,;3.44,-41.16,;4.77,-40.39,;6.11,-41.15,;7.44,-40.38,;7.43,-38.84,;8.77,-41.14,;10.1,-40.37,;11.44,-41.14,;12.77,-40.38,;12.77,-38.83,;11.44,-38.07,;10.1,-38.84,)| Show InChI InChI=1S/C23H35N3O3S/c1-2-14-30-22-19(21(27)25-18-6-4-3-5-7-18)12-13-20(26-22)24-15-16-8-10-17(11-9-16)23(28)29/h12-13,16-18H,2-11,14-15H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t16-,17- | 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 | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392238
(CHEMBL2153304)Show SMILES CCCN(C)c1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-3-13-26(2)22-19(23(30)24-18-9-5-4-6-10-18)11-12-20(25-22)27-14-7-8-17(16-27)15-21(28)29/h11-12,17-18H,3-10,13-16H2,1-2H3,(H,24,30)(H,28,29)/t17-/m0/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392227
(CHEMBL2153183)Show SMILES CCCSc1nc(N[C@H]2CC[C@@H](CC2)C(O)=O)ccc1C(=O)NC1CCCCC1 |r,wU:11.14,wD:8.7,(37.74,-32.28,;36.41,-33.05,;35.07,-32.28,;35.07,-30.74,;33.74,-29.98,;32.4,-30.75,;31.06,-29.98,;29.74,-30.74,;28.4,-29.97,;28.41,-28.43,;27.09,-27.66,;25.75,-28.43,;25.74,-29.97,;27.08,-30.75,;24.41,-27.65,;24.42,-26.11,;23.08,-28.41,;31.07,-28.43,;32.4,-27.66,;33.73,-28.43,;35.06,-27.65,;35.06,-26.11,;36.4,-28.42,;37.73,-27.64,;39.07,-28.42,;40.4,-27.65,;40.4,-26.11,;39.06,-25.34,;37.72,-26.11,)| Show InChI InChI=1S/C22H33N3O3S/c1-2-14-29-21-18(20(26)24-16-6-4-3-5-7-16)12-13-19(25-21)23-17-10-8-15(9-11-17)22(27)28/h12-13,15-17H,2-11,14H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t15-,17- | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392232
(CHEMBL2153188)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C21H31N3O3S/c1-2-13-28-20-17(19(25)22-16-8-4-3-5-9-16)10-11-18(23-20)24-12-6-7-15(14-24)21(26)27/h10-11,15-16H,2-9,12-14H2,1H3,(H,22,25)(H,26,27) | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392225
(CHEMBL2153181)Show InChI InChI=1S/C18H21N3OS/c1-2-13-23-17-15(5-3-9-20-17)18(22)21-12-4-6-16(21)14-7-10-19-11-8-14/h3,5,7-11,16H,2,4,6,12-13H2,1H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392224
(CHEMBL2153180)Show SMILES CCCSc1ncccc1C(=O)N(C)[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:24:21:15.14.16:18,22:21:15.14.16:18| Show InChI InChI=1S/C20H28N2O2S/c1-3-7-25-18-16(5-4-6-21-18)19(23)22(2)17-14-8-13-9-15(17)12-20(24,10-13)11-14/h4-6,13-15,17,24H,3,7-12H2,1-2H3/t13?,14-,15+,17+,20- | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392235
(CHEMBL2153192 | US8673938, 4)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H33N3O3S/c1-2-14-29-22-18(21(28)23-17-6-4-3-5-7-17)8-9-19(24-22)25-12-10-16(11-13-25)15-20(26)27/h8-9,16-17H,2-7,10-15H2,1H3,(H,23,28)(H,26,27) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392218
(CHEMBL2153174)Show SMILES Fc1cccc(F)c1CS(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C17H16F5N3O2S/c18-14-4-1-5-15(19)12(14)11-28(26,27)25-9-7-24(8-10-25)16-13(17(20,21)22)3-2-6-23-16/h1-6H,7-11H2 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392233
(CHEMBL2153189)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C21H31N3O3S/c1-2-14-28-20-17(19(25)22-16-6-4-3-5-7-16)8-9-18(23-20)24-12-10-15(11-13-24)21(26)27/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)(H,26,27) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392217
(CHEMBL2153173)Show InChI InChI=1S/C15H22N2OS/c1-2-11-19-15-13(9-6-10-16-15)14(18)17-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,17,18) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392230
(CHEMBL2153186)Show SMILES CCCSc1nc(Oc2cccc(CCC(O)=O)c2)ccc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H30N2O4S/c1-2-15-31-24-20(23(29)25-18-8-4-3-5-9-18)12-13-21(26-24)30-19-10-6-7-17(16-19)11-14-22(27)28/h6-7,10,12-13,16,18H,2-5,8-9,11,14-15H2,1H3,(H,25,29)(H,27,28) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392221
(CHEMBL2153177)Show InChI InChI=1S/C15H22N2O2S/c1-3-11-20-14-13(5-4-8-16-14)15(18)17(2)12-6-9-19-10-7-12/h4-5,8,12H,3,6-7,9-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392239
(CHEMBL2153305)Show SMILES CCCCc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C23H35N3O3/c1-2-3-11-20-19(23(29)24-18-9-5-4-6-10-18)12-13-21(25-20)26-14-7-8-17(16-26)15-22(27)28/h12-13,17-18H,2-11,14-16H2,1H3,(H,24,29)(H,27,28)/t17-/m0/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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392229
(CHEMBL2153185)Show SMILES CCCSc1nc(Oc2ccc(CC(O)=O)cc2)ccc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N2O4S/c1-2-14-30-23-19(22(28)24-17-6-4-3-5-7-17)12-13-20(25-23)29-18-10-8-16(9-11-18)15-21(26)27/h8-13,17H,2-7,14-15H2,1H3,(H,24,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length mouse 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392220
(CHEMBL2153176)Show InChI InChI=1S/C15H20F2N2OS/c1-2-10-21-14-12(4-3-9-18-14)13(20)19-11-5-7-15(16,17)8-6-11/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,20) | 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 | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392231
(CHEMBL2153187)Show InChI InChI=1S/C21H31N3O3S/c1-2-14-28-20-16(19(25)22-15-8-4-3-5-9-15)11-12-18(23-20)24-13-7-6-10-17(24)21(26)27/h11-12,15,17H,2-10,13-14H2,1H3,(H,22,25)(H,26,27) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392237
(CHEMBL2153303)Show SMILES CCCNc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H34N4O3/c1-2-12-23-21-18(22(29)24-17-8-4-3-5-9-17)10-11-19(25-21)26-13-6-7-16(15-26)14-20(27)28/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,25)(H,24,29)(H,27,28)/t16-/m0/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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
Hydroxysteroid 11-beta dehydrogenase 1
(Canis familiaris) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length dog 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Rattus norvegicus (rat)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length rat 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50392226
(CHEMBL2153182)Show SMILES CCCSc1ncccc1C(=O)N[C@H]1CC[C@H](CC1)C(O)=O |r,wU:13.13,16.20,(11.48,-32.46,;10.15,-33.23,;8.82,-32.46,;8.82,-30.92,;7.48,-30.15,;6.14,-30.93,;4.81,-30.16,;4.81,-28.61,;6.14,-27.84,;7.48,-28.6,;8.81,-27.83,;8.8,-26.29,;10.14,-28.59,;11.47,-27.82,;11.47,-26.29,;12.81,-25.52,;14.14,-26.29,;14.14,-27.83,;12.81,-28.59,;15.48,-25.51,;16.82,-26.28,;15.48,-23.97,)| Show InChI InChI=1S/C16H22N2O3S/c1-2-10-22-15-13(4-3-9-17-15)14(19)18-12-7-5-11(6-8-12)16(20)21/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,18,19)(H,20,21)/t11-,12+ | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ... |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 11betaHSD2 using cortisol as substrate after 40 mins by fluorescence spectrophotometry |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 17betaHSD1 using [3H]estrone as substrate after 20 mins by flow scintillation analysis |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 3
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 17betaHSD3 using [3H]androstenedione as substrate after 90 mins by flow scintillation analysis |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50392216
(CHEMBL2153191 | US8673938, 7)Show SMILES CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWorks assay |
J Med Chem 55: 5951-64 (2012)
Article DOI: 10.1021/jm300592r
BindingDB Entry DOI: 10.7270/Q24F1RTK |
More data for this
Ligand-Target Pair | |
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