BDBM176587 US9120761, 1

SMILES: COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1

InChI Key: InChIKey=UAFDWTTZIJTWGE-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 176587   

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 (FAK) (Mus musculus (Mouse))	BDBM176587 (US9120761, 1) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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
Focal adhesion kinase (FAK) (Mus musculus (Mouse))	BDBM176587 (US9120761, 1) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.290	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC PTY LTD US Patent					Assay Description In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...				US Patent US9120761 (2015) BindingDB Entry DOI: 10.7270/Q22N511J
					More data for this Ligand-Target Pair
modified VEGFR3 cytoplasmic domain (Homo sapiens (Human))	BDBM176587 (US9120761, 1) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	275	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