Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50317221' 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)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse 11-beta-HSD1 |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50317221
((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1 | 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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2897-902 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ |
More data for this Ligand-Target Pair | |