BDBM50312069 CHEMBL1076541::N-(3-(3-(5-((4-ethylpiperazin-1-yl)methyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide

SMILES: CCN1CCN(Cc2cc(co2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1

InChI Key: InChIKey=DATHYHLOJYBUAS-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 = 50312069   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50312069 (CHEMBL1076541 | N-(3-(3-(5-((4-ethylpiperazin-1-yl...) Show SMILES CCN1CCN(Cc2cc(co2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1 Show InChI InChI=1S/C31H29F3N6O2/c1-2-38-11-13-39(14-12-38)19-26-17-23(20-42-26)27-18-36-40-28(9-10-35-29(27)40)21-5-4-8-25(16-21)37-30(41)22-6-3-7-24(15-22)31(32,33)34/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant B-Raf expressed in Sf9 cells				Bioorg Med Chem Lett 19: 6519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.10.049 BindingDB Entry DOI: 10.7270/Q2SX6DC7
					More data for this Ligand-Target Pair