BDBM155377 US9006282, Example 2, Compound 5::US9102656, Example 2, Compound 5

SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)N(C)S(C)(=O)=O

InChI Key: InChIKey=COCIHEXJGZOSOJ-MXUUAITNSA-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 = 155377   

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 (Homo sapiens (Human))	BDBM155377 (US9006282, Example 2, Compound 5 | US9102656, Exam...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C33H42FN3O5S/c1-22(2)30-28(31(24-13-15-25(34)16-14-24)36-32(35-30)37(6)43(7,38)39)18-17-26-19-27(20-29(41-26)42-33(3,4)5)40-21-23-11-9-8-10-12-23/h8-18,22,26-27,29H,19-21H2,1-7H3/b18-17+/t26-,27-,29?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
RedX Pharma Limited US Patent					Assay Description The following procedure was followed using a HMG-CoA Reductase assay kit obtained from Sigma-Aldrich (catalogue number CS1090). The assay is based on...				US Patent US9102656 (2015) BindingDB Entry DOI: 10.7270/Q2G15ZMV
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM155377 (US9006282, Example 2, Compound 5 | US9102656, Exam...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C33H42FN3O5S/c1-22(2)30-28(31(24-13-15-25(34)16-14-24)36-32(35-30)37(6)43(7,38)39)18-17-26-19-27(20-29(41-26)42-33(3,4)5)40-21-23-11-9-8-10-12-23/h8-18,22,26-27,29H,19-21H2,1-7H3/b18-17+/t26-,27-,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	n/a
Redx Pharma Limited US Patent					Assay Description All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...				US Patent US9006282 (2015) BindingDB Entry DOI: 10.7270/Q28K77T8
					More data for this Ligand-Target Pair