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BDBM50160796 (E)-(3R,5S)-7-[5-(4-Fluoro-2-methyl-phenyl)-4-(4-fluoro-phenyl)-2-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion

SMILES: CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1

InChI Key: InChIKey=OFLGDXCJEMRJRI-VRDGUJSXSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160796   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))		BDBM50160796
PNG
((E)-(3R,5S)-7-[5-(4-Fluoro-2-methyl-phenyl)-4-(4-f...)
Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,wD:18.20,(3.93,.75,;3.62,-.75,;4.77,-1.78,;2.15,-1.24,;1.69,-2.71,;.15,-2.71,;-.34,-1.26,;-1.8,-.78,;-2.12,.72,;-3.59,1.21,;-4.73,.16,;-6.2,.65,;-4.4,-1.34,;-2.92,-1.82,;-2.61,-3.32,;.89,-.36,;.89,1.18,;2.24,1.95,;2.24,3.49,;3.55,4.27,;.89,4.26,;.89,5.8,;-.44,6.58,;2.24,6.58,;3.55,5.81,;4.88,6.58,;3.55,7.34,;-.75,-3.97,;-2.28,-3.81,;-3.17,-5.06,;-2.54,-6.47,;-3.45,-7.71,;-1.02,-6.61,;-.12,-5.37,)|
Show InChI InChI=1S/C26H28F2N2O4/c1-15(2)26-29-24(17-4-6-18(27)7-5-17)25(22-9-8-19(28)12-16(22)3)30(26)11-10-20(31)13-21(32)14-23(33)34/h4-12,15,20-21,31-32H,13-14H2,1-3H3,(H,33,34)/p-1/b11-10+/t20-,21-/m1/s1
PDB

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UniProtKB/TrEMBL

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PC cid
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Similars
Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase

Bioorg Med Chem Lett 15: 1027-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.042
BindingDB Entry DOI: 10.7270/Q2TB17N9
More data for this
Ligand-Target Pair