Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50042622'   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042622 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN3O4/c1-16(2)26-29-24(18-5-4-6-20(13-18)28-3)25(17-7-9-19(27)10-8-17)30(26)12-11-21(31)14-22(32)15-23(33)34/h4-13,16,21-22,28,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b12-11+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50042622 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN3O4/c1-16(2)26-29-24(18-5-4-6-20(13-18)28-3)25(17-7-9-19(27)10-8-17)30(26)12-11-21(31)14-22(32)15-23(33)34/h4-13,16,21-22,28,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b12-11+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.52	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase				Bioorg Med Chem Lett 15: 1027-32 (2005) Article DOI: 10.1016/j.bmcl.2004.12.042 BindingDB Entry DOI: 10.7270/Q2TB17N9
					More data for this Ligand-Target Pair