BDBM181130 US9138393, 2-Butyl-4-chloro- 5-(hydroxymethyl) imidazole

SMILES: CCCCc1nc(Cl)cn1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=QUIJTMPWWMXUEY-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 = 181130   

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))	BDBM181130 (US9138393, 2-Butyl-4-chloro- 5-(hydroxymethyl) imi...) Show SMILES CCCCc1nc(Cl)cn1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C21H21ClN6/c1-2-3-8-20-23-19(22)14-28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)21-24-26-27-25-21/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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 A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair