Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50329313'   

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))	BDBM50329313 ((S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...) Show SMILES NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)| Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-4-27-18(16)28-15-3-5-29(11-15)20(31)32-17-13-6-12-7-14(17)10-21(8-12,9-13)19(26)30/h1-2,4,12-15,17H,3,5-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader				Bioorg Med Chem Lett 20: 6725-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.142 BindingDB Entry DOI: 10.7270/Q2X92BJ5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50329313 ((S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrol...) Show SMILES NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)| Show InChI InChI=1S/C22H27F3N4O3/c23-22(24,25)16-2-1-4-27-18(16)28-15-3-5-29(11-15)20(31)32-17-13-6-12-7-14(17)10-21(8-12,9-13)19(26)30/h1-2,4,12-15,17H,3,5-11H2,(H2,26,30)(H,27,28)/t12?,13?,14?,15-,17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader				Bioorg Med Chem Lett 20: 6725-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.142 BindingDB Entry DOI: 10.7270/Q2X92BJ5
					More data for this Ligand-Target Pair