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 = 'BDBM50024971'   

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))	BDBM50024971 (6-Fluoren-9-ylidenemethyl-4-hydroxy-tetrahydro-pyr...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-1)\[#6]=[#6]-1/c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C19H16O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-13,20H,9-10H2/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase				J Med Chem 29: 852-5 (1986) BindingDB Entry DOI: 10.7270/Q22F7MFN
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50024971 (6-Fluoren-9-ylidenemethyl-4-hydroxy-tetrahydro-pyr...) Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-1)\[#6]=[#6]-1/c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C19H16O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-13,20H,9-10H2/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against HMG CoA reductase				J Med Chem 28: 347-58 (1985) BindingDB Entry DOI: 10.7270/Q2VM4B8T
					More data for this Ligand-Target Pair