BDBM50184031 CHEMBL379969::N-(3-aminopropyl)-2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)acetamide

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

InChI Key: InChIKey=SNDGCGXMAHNLOI-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 = 50184031   

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))	BDBM50184031 (CHEMBL379969 | N-(3-aminopropyl)-2-(3-(2-(3,4,5-tr...) Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H30N6O4/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-8-11-32(25(18)31-26)20-7-4-6-17(12-20)13-23(33)28-10-5-9-27/h4,6-8,11-12,14-16H,5,9-10,13,27H2,1-3H3,(H,28,33)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+3	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