BDBM50184040 CHEMBL208392::N-(3-(dimethylamino)propyl)-2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)acetamide

SMILES: COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN(C)C)c4)c3n2)cc(OC)c1OC

InChI Key: InChIKey=WLXTYAWKCFZQKL-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 = 50184040   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50184040 (CHEMBL208392 | N-(3-(dimethylamino)propyl)-2-(3-(2...) Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN(C)C)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H34N6O4/c1-33(2)12-7-11-29-25(35)15-19-8-6-9-22(14-19)34-13-10-20-18-30-28(32-27(20)34)31-21-16-23(36-3)26(38-5)24(17-21)37-4/h6,8-10,13-14,16-18H,7,11-12,15H2,1-5H3,(H,29,35)(H,30,31,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of FAK				Bioorg Med Chem Lett 16: 2689-92 (2006) Article DOI: 10.1016/j.bmcl.2006.02.032 BindingDB Entry DOI: 10.7270/Q2NK3DN0
					More data for this Ligand-Target Pair