BDBM155557 US9012461, 33

SMILES: CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1

InChI Key: InChIKey=PVDNGDSNHFALPO-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 155557   

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))	BDBM155557 (US9012461, 33) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-35-13-10-18(11-14-35)17-4-6-20(7-5-17)33-25-32-16-21(26(27,28)29)23(34-25)9-8-22-19(15-24(30)36)3-2-12-31-22/h2-7,12,16,18H,8-11,13-15H2,1H3,(H2,30,36)(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	6.20	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)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))	BDBM155557 (US9012461, 33) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-35-13-10-18(11-14-35)17-4-6-20(7-5-17)33-25-32-16-21(26(27,28)29)23(34-25)9-8-22-19(15-24(30)36)3-2-12-31-22/h2-7,12,16,18H,8-11,13-15H2,1H3,(H2,30,36)(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	81	n/a	n/a	n/a	n/a	n/a	37
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155557 (US9012461, 33) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-35-13-10-18(11-14-35)17-4-6-20(7-5-17)33-25-32-16-21(26(27,28)29)23(34-25)9-8-22-19(15-24(30)36)3-2-12-31-22/h2-7,12,16,18H,8-11,13-15H2,1H3,(H2,30,36)(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	16	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))	BDBM155557 (US9012461, 33) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-35-13-10-18(11-14-35)17-4-6-20(7-5-17)33-25-32-16-21(26(27,28)29)23(34-25)9-8-22-19(15-24(30)36)3-2-12-31-22/h2-7,12,16,18H,8-11,13-15H2,1H3,(H2,30,36)(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	5.60	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