BDBM50252034 CHEMBL4085902

SMILES: COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC

InChI Key: InChIKey=CPKHEFISZPLMBT-POLYYXPVSA-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 = 50252034   

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))	BDBM50252034 (CHEMBL4085902) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC Show InChI InChI=1S/C24H28BrN3O3/c1-13-7-18(9-17-11-22(30-5)23(31-6)12-20(17)25)24(28-29)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13,29H,7-8H2,1-6H3/b18-9+,19-10+,28-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252034 (CHEMBL4085902) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC Show InChI InChI=1S/C24H28BrN3O3/c1-13-7-18(9-17-11-22(30-5)23(31-6)12-20(17)25)24(28-29)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13,29H,7-8H2,1-6H3/b18-9+,19-10+,28-24+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair