BDBM181794 US9144538, 2-Butyl-4-chloro-5- (hydroxymethyl) imidazole

SMILES: CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=RIUQREUAFRCKLE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 181794   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM181794 (US9144538, 2-Butyl-4-chloro-5- (hydroxymethyl) imi...) Show SMILES CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C41H37ClN6O/c1-2-3-23-38-43-39(42)37(48(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-46-47-45-40)29-49-41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27H,2-3,23,28-29H2,1H3,(H,44,45,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
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