BDBM155560 US9012461, 36

SMILES: CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1

InChI Key: InChIKey=ACIBTFUWZHGTPF-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 = 155560   

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))	BDBM155560 (US9012461, 36) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(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	2.30	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))	BDBM155560 (US9012461, 36) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(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	169	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))	BDBM155560 (US9012461, 36) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(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))	BDBM155560 (US9012461, 36) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(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	0.480	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