Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.3 BDBM50014682

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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))	BDBM50014682 (CHEMBL105654 | i4-Hydroxy-6-{2-[2-(3-hydroxy-pheny...) Show SMILES Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H21NO4/c1-12-5-6-17(13-3-2-4-14(20)9-13)19(12)8-7-16-10-15(21)11-18(22)23-16/h2-6,9,15-16,20-21H,7-8,10-11H2,1H3/t15-,16-/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats				J Med Chem 33: 21-31 (1990) BindingDB Entry DOI: 10.7270/Q2XG9RR6
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014682 (CHEMBL105654 | i4-Hydroxy-6-{2-[2-(3-hydroxy-pheny...) Show SMILES Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H21NO4/c1-12-5-6-17(13-3-2-4-14(20)9-13)19(12)8-7-16-10-15(21)11-18(22)23-16/h2-6,9,15-16,20-21H,7-8,10-11H2,1H3/t15-,16-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats				J Med Chem 33: 21-31 (1990) BindingDB Entry DOI: 10.7270/Q2XG9RR6
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014682 (CHEMBL105654 | i4-Hydroxy-6-{2-[2-(3-hydroxy-pheny...) Show SMILES Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H21NO4/c1-12-5-6-17(13-3-2-4-14(20)9-13)19(12)8-7-16-10-15(21)11-18(22)23-16/h2-6,9,15-16,20-21H,7-8,10-11H2,1H3/t15-,16-/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats				J Med Chem 33: 21-31 (1990) BindingDB Entry DOI: 10.7270/Q2XG9RR6
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014682 (CHEMBL105654 | i4-Hydroxy-6-{2-[2-(3-hydroxy-pheny...) Show SMILES Cc1ccc(-c2cccc(O)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C18H21NO4/c1-12-5-6-17(13-3-2-4-14(20)9-13)19(12)8-7-16-10-15(21)11-18(22)23-16/h2-6,9,15-16,20-21H,7-8,10-11H2,1H3/t15-,16-/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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats				J Med Chem 33: 21-31 (1990) BindingDB Entry DOI: 10.7270/Q2XG9RR6
					More data for this Ligand-Target Pair