Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50430133'   

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))	BDBM50430133 (CHEMBL2338253) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(Cl)cc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(41.36,-45.83,;41.99,-47.23,;42.38,-45.73,;43.52,-47.28,;44.46,-48.5,;44.08,-50,;45.26,-50.99,;46.65,-50.39,;47.7,-51.62,;47.71,-53.2,;46.31,-53.78,;45.29,-52.51,;46.68,-52.85,;48.01,-52.35,;49.54,-52.33,;49.22,-53.61,;48,-50.86,;42.68,-50.63,;42.64,-52.17,;41.31,-49.93,;39.96,-50.68,;38.83,-49.65,;39.47,-48.24,;41,-48.41,;38.71,-46.91,;39.49,-45.58,;38.73,-44.24,;37.19,-44.23,;36.43,-42.89,;36.41,-45.56,;37.17,-46.9,)| Show InChI InChI=1S/C25H30ClN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
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