Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50413276'   

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))	BDBM50413276 (CHEMBL2021495) Show SMILES C[C@@](O)(c1ccc(cc1)C(=C)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-1.96,-5.51,;-3.05,-6.6,;-3.45,-5.11,;-1.72,-7.37,;-1.72,-8.91,;-.38,-9.68,;.95,-8.91,;.95,-7.37,;-.38,-6.6,;2.28,-9.68,;2.28,-11.22,;3.62,-8.91,;3.62,-7.37,;4.39,-6.04,;2.85,-6.04,;4.95,-9.68,;6.28,-8.91,;7.62,-9.68,;7.62,-11.22,;6.28,-11.99,;4.95,-11.22,;8.95,-11.99,;8.95,-13.53,;10.28,-14.3,;11.62,-13.53,;11.62,-11.99,;10.28,-11.22,;-4.39,-7.37,;-5.72,-6.6,;-4.39,-8.91,;-5.72,-8.14,)| Show InChI InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21-,24-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cort...				Bioorg Med Chem Lett 19: 1446-50 (2009) Article DOI: 10.1016/j.bmcl.2009.01.026 BindingDB Entry DOI: 10.7270/Q2TD9Z8S
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