BDBM50256037 CHEMBL473436::N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine

SMILES: Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1

InChI Key: InChIKey=WVBOSBMDZYIKPK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50256037   

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))	BDBM50256037 (CHEMBL473436 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1 Show InChI InChI=1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)	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	121	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50256037 (CHEMBL473436 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1 Show InChI InChI=1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)	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	826	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2 intracellular autophosphorylation of ErbB2 in human BT474 cells by DELFIA assay				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))	BDBM50256037 (CHEMBL473436 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1 Show InChI InChI=1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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