Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50340822'   

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))	BDBM50340822 (4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...) Show SMILES CCNC(=O)c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O/c1-3-24-20(28)16-7-5-15(6-8-16)19-25-26-21(27(19)2)22(13-4-14-22)17-9-11-18(23)12-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,24,28)	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340822 (4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...) Show SMILES CCNC(=O)c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O/c1-3-24-20(28)16-7-5-15(6-8-16)19-25-26-21(27(19)2)22(13-4-14-22)17-9-11-18(23)12-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,24,28)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair