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BDBM18424 (3R,5R)-7-{3-[benzyl(methyl)carbamoyl]-1-(4-fluorophenyl)-4-(propan-2-yl)-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid::pyrazole, 3b

SMILES: CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=NKXSDKKNJJYOFA-DHIUTWEWSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 18424   
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
HMG-CoA reductase


(Rattus norvegicus (rat))		BDBM18424
PNG
((3R,5R)-7-{3-[benzyl(methyl)carbamoyl]-1-(4-fluoro...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O5/c1-18(2)26-24(14-13-22(33)15-23(34)16-25(35)36)32(21-11-9-20(29)10-12-21)30-27(26)28(37)31(3)17-19-7-5-4-6-8-19/h4-12,18,22-23,33-34H,13-17H2,1-3H3,(H,35,36)/t22-,23-/m1/s1
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Similars
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...

Bioorg Med Chem Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair