BDBM155528 US9012461, 4

SMILES: NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCNC2)ncc1C(F)(F)F

InChI Key: InChIKey=WINJCYJRNKWDAB-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 = 155528   

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))	BDBM155528 (US9012461, 4) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCNC2)ncc1C(F)(F)F Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)22-16-32-25(33-21-10-7-18(8-11-21)20-6-3-13-31-15-20)34-23(22)12-9-17-4-1-2-5-19(17)14-24(30)35/h1-2,4-5,7-8,10-11,16,20,31H,3,6,9,12-15H2,(H2,30,35)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	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)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155528 (US9012461, 4) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCNC2)ncc1C(F)(F)F Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)22-16-32-25(33-21-10-7-18(8-11-21)20-6-3-13-31-15-20)34-23(22)12-9-17-4-1-2-5-19(17)14-24(30)35/h1-2,4-5,7-8,10-11,16,20,31H,3,6,9,12-15H2,(H2,30,35)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	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 US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155528 (US9012461, 4) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCNC2)ncc1C(F)(F)F Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)22-16-32-25(33-21-10-7-18(8-11-21)20-6-3-13-31-15-20)34-23(22)12-9-17-4-1-2-5-19(17)14-24(30)35/h1-2,4-5,7-8,10-11,16,20,31H,3,6,9,12-15H2,(H2,30,35)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.730	n/a	n/a	n/a	7.4	25
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description Binding parameters of compounds were determined using a Biacore S51 sensor. An anti-GST antibody was immobilized onto a CM5 chip by primary amine-cou...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair