BDBM155376 US9006282, Example 2, Compound 4::US9102656, Example 2, Compound 3

SMILES: CC(C)OC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1

InChI Key: InChIKey=HPMKWIWLIPTFQV-FJAMEXCJSA-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 = 155376   

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 (HMG-CoA) (Homo sapiens (Human))	BDBM155376 (US9006282, Example 2, Compound 4 | US9102656, Exam...) Show SMILES CC(C)OC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1 |r| Show InChI InChI=1S/C32H40FN3O5S/c1-21(2)30-28(31(24-12-14-25(33)15-13-24)35-32(34-30)36(5)42(6,37)38)17-16-26-18-27(19-29(41-26)40-22(3)4)39-20-23-10-8-7-9-11-23/h7-17,21-22,26-27,29H,18-20H2,1-6H3/b17-16+/t26-,27-,29?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM155376 (US9006282, Example 2, Compound 4 | US9102656, Exam...) Show SMILES CC(C)OC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1 |r| Show InChI InChI=1S/C32H40FN3O5S/c1-21(2)30-28(31(24-12-14-25(33)15-13-24)35-32(34-30)36(5)42(6,37)38)17-16-26-18-27(19-29(41-26)40-22(3)4)39-20-23-10-8-7-9-11-23/h7-17,21-22,26-27,29H,18-20H2,1-6H3/b17-16+/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	1	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