Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50112129'   

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 (Mus musculus (mouse))	BDBM50112129 (CHEMBL3608409) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC#N)(C3)C2 |r,wD:17.17,TLB:21:22:29:28.19.20,21:20:29:17.22.23,17:18:28:22.21.23,THB:16:17:29:28.19.20,17:22:28:29.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;4.24,3.67,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H28FN3O3S/c1-21(2,26-30(28,29)18-6-4-3-5-17(18)23)20(27)25-19-15-9-14-10-16(19)13-22(11-14,12-15)7-8-24/h3-6,14-16,19,26H,7,9-13H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22?	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incheon National University Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				Bioorg Med Chem Lett 25: 3501-6 (2015) Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112129 (CHEMBL3608409) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CC#N)(C3)C2 |r,wD:17.17,TLB:21:22:29:28.19.20,21:20:29:17.22.23,17:18:28:22.21.23,THB:16:17:29:28.19.20,17:22:28:29.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;3.07,1.15,;3.72,2.55,;4.24,3.67,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C22H28FN3O3S/c1-21(2,26-30(28,29)18-6-4-3-5-17(18)23)20(27)25-19-15-9-14-10-16(19)13-22(11-14,12-15)7-8-24/h3-6,14-16,19,26H,7,9-13H2,1-2H3,(H,25,27)/t14?,15?,16?,19-,22?	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incheon National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 25: 3501-6 (2015) Article DOI: 10.1016/j.bmcl.2015.06.099 BindingDB Entry DOI: 10.7270/Q2BP04KW
					More data for this Ligand-Target Pair