BDBM50430291 CHEMBL2333442

SMILES: CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O

InChI Key: InChIKey=VKHQVZALROIDPM-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 = 50430291   

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))	BDBM50430291 (CHEMBL2333442) Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay				Bioorg Med Chem Lett 23: 1779-85 (2013) Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50430291 (CHEMBL2333442) Show SMILES CN1c2ccc(Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O Show InChI InChI=1S/C17H15FN4O2S/c1-21-17-14-9-13(20-12-5-3-11(18)4-6-12)7-8-15(14)22(2)25(23,24)16(17)10-19-21/h3-10,20H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs				Bioorg Med Chem Lett 23: 1779-85 (2013) Article DOI: 10.1016/j.bmcl.2013.01.047 BindingDB Entry DOI: 10.7270/Q26Q1ZK9
					More data for this Ligand-Target Pair