null

SMILES: COc1cc(ccc1Nc1nc2NCC(C)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1

InChI Key: InChIKey=AFWWHLOJHKPYKP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 245577   

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
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM245577 (US9428508, 32) Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1 Show InChI InChI=1S/C27H35N7O4S/c1-18-16-28-25-24(18)26(29-17-19-7-5-6-8-22(19)33(2)39(4,35)36)32-27(31-25)30-21-10-9-20(15-23(21)37-3)34-11-13-38-14-12-34/h5-10,15,18H,11-14,16-17H2,1-4H3,(H3,28,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245577 (US9428508, 32) Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1)N1CCOCC1 Show InChI InChI=1S/C27H35N7O4S/c1-18-16-28-25-24(18)26(29-17-19-7-5-6-8-22(19)33(2)39(4,35)36)32-27(31-25)30-21-10-9-20(15-23(21)37-3)34-11-13-38-14-12-34/h5-10,15,18H,11-14,16-17H2,1-4H3,(H3,28,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
					More data for this Ligand-Target Pair