BDBM50255996 CHEMBL475599::N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)thiophen-3-yl)thieno[2,3-d]pyrimidin-4-amine

SMILES: CS(=O)(=O)CCNCc1cc(cs1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1

InChI Key: InChIKey=NXPQOKLTKBGJEH-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 = 50255996   

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))	BDBM50255996 (CHEMBL475599 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1cc(cs1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50255996 (CHEMBL475599 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1cc(cs1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair