Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50445582'   

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))	BDBM50445582 (CHEMBL3102864) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:26:25:16.27.28:30,13:16:24.26.25:28.29.30,17:16:30:24.25.31,THB:32:31:16.27.28:30,26:27:30:24.25.31,31:25:16:28.29.30,31:29:16:24.26.25,13:16:30:24.25.31,17:16:24.26.25:28.29.30,(17.97,-51.27,;19.31,-50.5,;20.08,-51.83,;20.86,-50.49,;19.32,-48.96,;17.98,-48.18,;17.99,-46.63,;19.34,-45.87,;20.67,-46.64,;20.67,-48.18,;19.34,-44.33,;18.02,-43.55,;18.03,-42.02,;19.37,-41.26,;20.69,-42.03,;20.68,-43.56,;19.38,-39.72,;18.04,-38.92,;16.69,-39.67,;15.2,-39.25,;14.34,-40.53,;15.29,-41.74,;16.74,-41.21,;20.58,-38.44,;21.9,-38.93,;23.3,-38.59,;22.29,-39.87,;20.87,-39.3,;20.87,-37.71,;21.91,-36.47,;20.57,-36.95,;23.32,-37.05,;24.61,-36.2,)| Show InChI InChI=1S/C25H28N4O3S/c1-33(31,32)22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50445582 (CHEMBL3102864) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:26:25:16.27.28:30,13:16:24.26.25:28.29.30,17:16:30:24.25.31,THB:32:31:16.27.28:30,26:27:30:24.25.31,31:25:16:28.29.30,31:29:16:24.26.25,13:16:30:24.25.31,17:16:24.26.25:28.29.30,(17.97,-51.27,;19.31,-50.5,;20.08,-51.83,;20.86,-50.49,;19.32,-48.96,;17.98,-48.18,;17.99,-46.63,;19.34,-45.87,;20.67,-46.64,;20.67,-48.18,;19.34,-44.33,;18.02,-43.55,;18.03,-42.02,;19.37,-41.26,;20.69,-42.03,;20.68,-43.56,;19.38,-39.72,;18.04,-38.92,;16.69,-39.67,;15.2,-39.25,;14.34,-40.53,;15.29,-41.74,;16.74,-41.21,;20.58,-38.44,;21.9,-38.93,;23.3,-38.59,;22.29,-39.87,;20.87,-39.3,;20.87,-37.71,;21.91,-36.47,;20.57,-36.95,;23.32,-37.05,;24.61,-36.2,)| Show InChI InChI=1S/C25H28N4O3S/c1-33(31,32)22-8-4-16(5-9-22)15-2-6-19(7-3-15)25(14-23-26-28-29-27-23)20-10-17-11-21(25)13-18(12-20)24(17)30/h2-9,17-18,20-21,24,30H,10-14H2,1H3,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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				Bioorg Med Chem Lett 24: 654-60 (2014) Article DOI: 10.1016/j.bmcl.2013.11.066 BindingDB Entry DOI: 10.7270/Q20Z74RF
					More data for this Ligand-Target Pair