Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50239598'   

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))	BDBM50239598 (CHEMBL4094542) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CC(=O)N2CC(O)C2)C2CC3CC1CC(C2)C3O |TLB:22:21:10.23.24:26,11:10:26:20.21.27,7:10:20.22.21:24.25.26,THB:28:27:10.23.24:26,22:23:26:20.21.27,27:21:10:24.25.26,27:25:10:20.22.21,11:10:20.22.21:24.25.26,7:10:26:20.21.27,(29.17,-43.15,;30.5,-42.39,;31.99,-42.78,;30.9,-43.87,;30.52,-40.85,;29.2,-40.06,;29.21,-38.53,;30.56,-37.77,;31.88,-38.55,;31.87,-40.08,;30.57,-36.24,;29.43,-35.2,;27.96,-35.68,;27.64,-37.19,;26.82,-34.64,;26.74,-33.1,;25.2,-33.18,;24.06,-32.15,;25.28,-34.72,;31.77,-34.96,;33.1,-35.45,;34.49,-35.1,;33.49,-36.38,;32.07,-35.82,;32.07,-34.23,;33.11,-32.99,;31.77,-33.47,;34.51,-33.57,;35.8,-32.73,)| Show InChI InChI=1S/C22H29NO5S/c1-29(27,28)19-4-2-15(3-5-19)22(10-20(25)23-11-18(24)12-23)16-6-13-7-17(22)9-14(8-16)21(13)26/h2-5,13-14,16-18,21,24,26H,6-12H2,1H3	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	357	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50239598 (CHEMBL4094542) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CC(=O)N2CC(O)C2)C2CC3CC1CC(C2)C3O |TLB:22:21:10.23.24:26,11:10:26:20.21.27,7:10:20.22.21:24.25.26,THB:28:27:10.23.24:26,22:23:26:20.21.27,27:21:10:24.25.26,27:25:10:20.22.21,11:10:20.22.21:24.25.26,7:10:26:20.21.27,(29.17,-43.15,;30.5,-42.39,;31.99,-42.78,;30.9,-43.87,;30.52,-40.85,;29.2,-40.06,;29.21,-38.53,;30.56,-37.77,;31.88,-38.55,;31.87,-40.08,;30.57,-36.24,;29.43,-35.2,;27.96,-35.68,;27.64,-37.19,;26.82,-34.64,;26.74,-33.1,;25.2,-33.18,;24.06,-32.15,;25.28,-34.72,;31.77,-34.96,;33.1,-35.45,;34.49,-35.1,;33.49,-36.38,;32.07,-35.82,;32.07,-34.23,;33.11,-32.99,;31.77,-33.47,;34.51,-33.57,;35.8,-32.73,)| Show InChI InChI=1S/C22H29NO5S/c1-29(27,28)19-4-2-15(3-5-19)22(10-20(25)23-11-18(24)12-23)16-6-13-7-17(22)9-14(8-16)21(13)26/h2-5,13-14,16-18,21,24,26H,6-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				J Med Chem 60: 4932-4948 (2017) Article DOI: 10.1021/acs.jmedchem.7b00211 BindingDB Entry DOI: 10.7270/Q2DV1N23
					More data for this Ligand-Target Pair