BDBM50226173 CHEMBL260510::IAVPGEVA

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=ODFBVPAGBMWODF-INBFODARSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50226173   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (Mesocricetus auratus)	BDBM50226173 (CHEMBL260510 | IAVPGEVA) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C34H58N8O11/c1-9-18(6)25(35)31(49)37-19(7)28(46)41-27(17(4)5)33(51)42-14-10-11-22(42)30(48)36-15-23(43)39-21(12-13-24(44)45)29(47)40-26(16(2)3)32(50)38-20(8)34(52)53/h16-22,25-27H,9-15,35H2,1-8H3,(H,36,48)(H,37,49)(H,38,50)(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,52,53)/t18-,19-,20-,21-,22-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Food Research Institute Curated by ChEMBL					Assay Description Inhibition of Syrian hamster HMGR				Bioorg Med Chem 16: 1309-18 (2008) Article DOI: 10.1016/j.bmc.2007.10.064 BindingDB Entry DOI: 10.7270/Q28P61D2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50226173 (CHEMBL260510 | IAVPGEVA) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C34H58N8O11/c1-9-18(6)25(35)31(49)37-19(7)28(46)41-27(17(4)5)33(51)42-14-10-11-22(42)30(48)36-15-23(43)39-21(12-13-24(44)45)29(47)40-26(16(2)3)32(50)38-20(8)34(52)53/h16-22,25-27H,9-15,35H2,1-8H3,(H,36,48)(H,37,49)(H,38,50)(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,52,53)/t18-,19-,20-,21-,22-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
					More data for this Ligand-Target Pair