BDBM176591 US9120761, 5

SMILES: COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCNCC1

InChI Key: InChIKey=UKXVRLBNBZAAIX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 176591   

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
Vascular endothelial growth factor receptor 3 [818-948,1003-1077] (Homo sapiens (Human))	BDBM176591 (US9120761, 5) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C26H28F3N5O2/c1-36-23-14-18(17-9-11-31-12-10-17)6-8-22(23)34-25-32-15-20(26(27,28)29)21(33-25)7-5-16-3-2-4-19(13-16)24(30)35/h2-4,6,8,13-15,17,31H,5,7,9-12H2,1H3,(H2,30,35)(H,32,33,34)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC PTY LTD US Patent					Assay Description Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...				US Patent US9120761 (2015) BindingDB Entry DOI: 10.7270/Q22N511J
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Mus musculus (Mouse))	BDBM176591 (US9120761, 5) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C26H28F3N5O2/c1-36-23-14-18(17-9-11-31-12-10-17)6-8-22(23)34-25-32-15-20(26(27,28)29)21(33-25)7-5-16-3-2-4-19(13-16)24(30)35/h2-4,6,8,13-15,17,31H,5,7,9-12H2,1H3,(H2,30,35)(H,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC PTY LTD US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2) S...				US Patent US9120761 (2015) BindingDB Entry DOI: 10.7270/Q22N511J
					More data for this Ligand-Target Pair