Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50382818'   

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))	BDBM50382818 (CHEMBL2023430) Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(31.33,-9.37,;31.33,-7.83,;32.66,-7.06,;34.07,-7.53,;34.89,-9.07,;34.97,-7.52,;35.96,-6.36,;35.08,-5,;34.96,-6.43,;33.63,-4.49,;32.64,-5.64,;33.47,-7.02,;29.99,-7.06,;29.99,-5.52,;28.66,-7.83,;28.67,-9.38,;27.33,-10.15,;26,-9.37,;26.01,-7.84,;24.67,-7.06,;23.34,-7.83,;23.34,-9.38,;24.67,-10.15,;22,-10.14,;20.66,-9.37,;19.34,-10.15,;18,-9.38,;18,-7.83,;16.67,-7.06,;19.33,-7.06,;20.67,-7.83,;22,-7.05,;21.22,-5.71,;22.76,-5.71,;27.34,-7.07,)| Show InChI InChI=1S/C26H28ClN3O4S/c1-29(24-19-9-16-7-17(11-19)12-20(24)10-16)25(31)18-4-2-3-15(8-18)14-30-26(32)28-22-6-5-21(27)13-23(22)35(30,33)34/h2-6,8,13,16-17,19-20,24H,7,9-12,14H2,1H3,(H,28,32)	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	n/a	n/a	4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA				Bioorg Med Chem Lett 22: 2748-52 (2012) Article DOI: 10.1016/j.bmcl.2012.02.095 BindingDB Entry DOI: 10.7270/Q22F7PGX
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50382818 (CHEMBL2023430) Show SMILES CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(31.33,-9.37,;31.33,-7.83,;32.66,-7.06,;34.07,-7.53,;34.89,-9.07,;34.97,-7.52,;35.96,-6.36,;35.08,-5,;34.96,-6.43,;33.63,-4.49,;32.64,-5.64,;33.47,-7.02,;29.99,-7.06,;29.99,-5.52,;28.66,-7.83,;28.67,-9.38,;27.33,-10.15,;26,-9.37,;26.01,-7.84,;24.67,-7.06,;23.34,-7.83,;23.34,-9.38,;24.67,-10.15,;22,-10.14,;20.66,-9.37,;19.34,-10.15,;18,-9.38,;18,-7.83,;16.67,-7.06,;19.33,-7.06,;20.67,-7.83,;22,-7.05,;21.22,-5.71,;22.76,-5.71,;27.34,-7.07,)| Show InChI InChI=1S/C26H28ClN3O4S/c1-29(24-19-9-16-7-17(11-19)12-20(24)10-16)25(31)18-4-2-3-15(8-18)14-30-26(32)28-22-6-5-21(27)13-23(22)35(30,33)34/h2-6,8,13,16-17,19-20,24H,7,9-12,14H2,1H3,(H,28,32)	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	n/a	n/a	69	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA				Bioorg Med Chem Lett 22: 2748-52 (2012) Article DOI: 10.1016/j.bmcl.2012.02.095 BindingDB Entry DOI: 10.7270/Q22F7PGX
					More data for this Ligand-Target Pair