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SMILES: Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

InChI Key: InChIKey=WRXRFFUVXFNKGG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182900   

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))	BDBM50182900 (CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182900 (CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	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 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair