BDBM176588 US9120761, 2

SMILES: COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1

InChI Key: InChIKey=FJMPEQKEWCBVKU-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 = 176588   

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))	BDBM176588 (US9120761, 2) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10	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))	BDBM176588 (US9120761, 2) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.740	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))	BDBM176588 (US9120761, 2) Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.69E+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