Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50202089' 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)) | BDBM50202089
(CHEMBL373889 | N-[(Z)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,1.0,TLB:6:1:29:4.5.7,8:7:2.1.30:29,0:1:29:4.5.7,THB:6:5:2.1.30:29,7:5:2:30.28.29,7:28:2:4.6.5,(-8.66,-21.61,;-8.65,-20.07,;-10.16,-20.47,;-8.95,-19.21,;-7.63,-19.71,;-6.23,-19.38,;-7.26,-20.65,;-6.2,-17.86,;-4.9,-17.02,;-3.53,-17.72,;-3.46,-19.26,;-2.24,-16.89,;-.87,-17.59,;-.84,-19.14,;.5,-19.88,;1.82,-19.08,;1.79,-17.54,;.44,-16.8,;3.14,-19.88,;3.11,-21.42,;4.42,-22.21,;5.77,-21.47,;5.8,-19.92,;4.48,-19.13,;7.09,-22.26,;8.42,-23.03,;6.31,-23.59,;7.88,-20.94,;-7.59,-17.26,;-8.94,-17.72,;-8.64,-18.49,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50202089
(CHEMBL373889 | N-[(Z)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,1.0,TLB:6:1:29:4.5.7,8:7:2.1.30:29,0:1:29:4.5.7,THB:6:5:2.1.30:29,7:5:2:30.28.29,7:28:2:4.6.5,(-8.66,-21.61,;-8.65,-20.07,;-10.16,-20.47,;-8.95,-19.21,;-7.63,-19.71,;-6.23,-19.38,;-7.26,-20.65,;-6.2,-17.86,;-4.9,-17.02,;-3.53,-17.72,;-3.46,-19.26,;-2.24,-16.89,;-.87,-17.59,;-.84,-19.14,;.5,-19.88,;1.82,-19.08,;1.79,-17.54,;.44,-16.8,;3.14,-19.88,;3.11,-21.42,;4.42,-22.21,;5.77,-21.47,;5.8,-19.92,;4.48,-19.13,;7.09,-22.26,;8.42,-23.03,;6.31,-23.59,;7.88,-20.94,;-7.59,-17.26,;-8.94,-17.72,;-8.64,-18.49,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in E. coli by SPA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50202089
(CHEMBL373889 | N-[(Z)-5-hydroxy-2-adamantyl]-2-{4-...)Show SMILES O[C@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,1.0,TLB:6:1:29:4.5.7,8:7:2.1.30:29,0:1:29:4.5.7,THB:6:5:2.1.30:29,7:5:2:30.28.29,7:28:2:4.6.5,(-8.66,-21.61,;-8.65,-20.07,;-10.16,-20.47,;-8.95,-19.21,;-7.63,-19.71,;-6.23,-19.38,;-7.26,-20.65,;-6.2,-17.86,;-4.9,-17.02,;-3.53,-17.72,;-3.46,-19.26,;-2.24,-16.89,;-.87,-17.59,;-.84,-19.14,;.5,-19.88,;1.82,-19.08,;1.79,-17.54,;.44,-16.8,;3.14,-19.88,;3.11,-21.42,;4.42,-22.21,;5.77,-21.47,;5.8,-19.92,;4.48,-19.13,;7.09,-22.26,;8.42,-23.03,;6.31,-23.59,;7.88,-20.94,;-7.59,-17.26,;-8.94,-17.72,;-8.64,-18.49,)| Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21+ | 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 | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells by FPIA |
J Med Chem 50: 149-64 (2007)
Article DOI: 10.1021/jm0609364
BindingDB Entry DOI: 10.7270/Q2Z60NQN |
More data for this
Ligand-Target Pair | |
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