Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50317215'   

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))	BDBM50317215 ((2R)-N-(adamantan-2-yl)-1-(cyclobutylmethyl)pyrrol...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(8.45,-25.87,;7.1,-26.62,;7.08,-28.16,;5.73,-28.91,;5.72,-30.44,;4.32,-30.8,;2.98,-30.3,;1.78,-31.58,;3.29,-31.16,;4.7,-31.73,;3.28,-29.57,;4.33,-28.33,;2.97,-28.81,;5.59,-26.11,;4.38,-27.09,;3.14,-26.18,;3.6,-24.72,;5.13,-24.71,;6.04,-23.46,;5.4,-22.05,;5.96,-20.61,;4.51,-20.07,;3.97,-21.51,)| Show InChI InChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1	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	0.0300	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
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