Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50399336'   

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))	BDBM50399336 (CHEMBL2177608) Show SMILES CC1(CC1)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(10.13,-23.34,;8.59,-23.5,;8.59,-25.04,;7.26,-24.26,;7.69,-22.25,;8.17,-20.79,;6.92,-19.88,;5.68,-20.79,;6.15,-22.25,;5.25,-23.5,;3.71,-23.33,;2.81,-24.57,;3.43,-25.98,;4.97,-26.14,;5.87,-24.89,;2.53,-27.23,;.99,-27.07,;3.15,-28.63,;9.64,-20.31,;9.96,-18.81,;10.78,-21.35,;12.24,-20.87,;13.44,-19.6,;14.77,-20.09,;16.17,-19.74,;16.18,-18.21,;14.78,-17.63,;13.43,-18.11,;13.74,-18.86,;13.75,-20.45,;15.15,-21.02,)| Show InChI InChI=1S/C25H29N3O3/c1-25(6-7-25)22-20(13-26-28(22)19-4-2-16(3-5-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h2-5,13-15,17-18,21H,6-12H2,1H3,(H,27,29)(H,30,31)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay				J Med Chem 55: 10136-47 (2012) Article DOI: 10.1021/jm301252n BindingDB Entry DOI: 10.7270/Q2WM1FJT
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