Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM155530'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM155530 (US9012461, 6) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(c(CCc3cccc(c3)C(N)=O)n2)C(F)(F)F)c1 Show InChI InChI=1S/C25H27F3N6O/c1-33-10-12-34(13-11-33)20-7-3-6-19(15-20)31-24-30-16-21(25(26,27)28)22(32-24)9-8-17-4-2-5-18(14-17)23(29)35/h2-7,14-16H,8-13H2,1H3,(H2,29,35)(H,30,31,32)	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	4.20	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))	BDBM155530 (US9012461, 6) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(c(CCc3cccc(c3)C(N)=O)n2)C(F)(F)F)c1 Show InChI InChI=1S/C25H27F3N6O/c1-33-10-12-34(13-11-33)20-7-3-6-19(15-20)31-24-30-16-21(25(26,27)28)22(32-24)9-8-17-4-2-5-18(14-17)23(29)35/h2-7,14-16H,8-13H2,1H3,(H2,29,35)(H,30,31,32)	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	52	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))	BDBM155530 (US9012461, 6) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(c(CCc3cccc(c3)C(N)=O)n2)C(F)(F)F)c1 Show InChI InChI=1S/C25H27F3N6O/c1-33-10-12-34(13-11-33)20-7-3-6-19(15-20)31-24-30-16-21(25(26,27)28)22(32-24)9-8-17-4-2-5-18(14-17)23(29)35/h2-7,14-16H,8-13H2,1H3,(H2,29,35)(H,30,31,32)	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	6.30	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