BDBM50252043 CHEMBL4093642

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

InChI Key: InChIKey=QLJVUGOZYMSDGQ-WBAKZUHQSA-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 = 50252043   

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))	BDBM50252043 (CHEMBL4093642) Show SMILES COc1cc(Br)c(\C=C2/CN(C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)C(C)C)cc1OC Show InChI InChI=1S/C25H31BrN4O3/c1-14(2)30-12-19(8-18-10-23(32-6)24(33-7)11-21(18)26)25(29-31)20(13-30)9-22-17(5)27-15(3)16(4)28-22/h8-11,14,31H,12-13H2,1-7H3/b19-8+,20-9+,29-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM50252043 (CHEMBL4093642) Show SMILES COc1cc(Br)c(\C=C2/CN(C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)C(C)C)cc1OC Show InChI InChI=1S/C25H31BrN4O3/c1-14(2)30-12-19(8-18-10-23(32-6)24(33-7)11-21(18)26)25(29-31)20(13-30)9-22-17(5)27-15(3)16(4)28-22/h8-11,14,31H,12-13H2,1-7H3/b19-8+,20-9+,29-25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+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