null

SMILES: Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O

InChI Key: InChIKey=YLFPZRPXZQPKNI-MTJSOVHGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338594   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50338594 (3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...) Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C24H23ClF2N4O4S/c1-15-19(12-21(27)24(32)28-8-9-36(2,33)34)23(30-14-29-15)31-18-6-7-22(20(25)11-18)35-13-16-4-3-5-17(26)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,28,32)(H,29,30,31)/b21-12-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of HER2 by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50338594 (3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...) Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C24H23ClF2N4O4S/c1-15-19(12-21(27)24(32)28-8-9-36(2,33)34)23(30-14-29-15)31-18-6-7-22(20(25)11-18)35-13-16-4-3-5-17(26)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,28,32)(H,29,30,31)/b21-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair