BDBM245628 US9428508, 83

SMILES: COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccccc1=O

InChI Key: InChIKey=JZXMKAIPOCCIGN-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 245628   

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
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM245628 (US9428508, 83) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccccc1=O Show InChI InChI=1S/C27H29N7O4S/c1-17(2)33-39(36,37)23-9-5-4-8-21(23)29-26-19-13-14-28-25(19)31-27(32-26)30-20-12-11-18(16-22(20)38-3)34-15-7-6-10-24(34)35/h4-12,15-17,33H,13-14H2,1-3H3,(H3,28,29,30,31,32)	PDB UniProtKB/SwissProt 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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM245628 (US9428508, 83) Show SMILES COc1cc(ccc1Nc1nc2NCCc2c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)-n1ccccc1=O Show InChI InChI=1S/C27H29N7O4S/c1-17(2)33-39(36,37)23-9-5-4-8-21(23)29-26-19-13-14-28-25(19)31-27(32-26)30-20-12-11-18(16-22(20)38-3)34-15-7-6-10-24(34)35/h4-12,15-17,33H,13-14H2,1-3H3,(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