Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50182692'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50182692 (CHEMBL202424 | N-[4-[(3-chloro-4-fluorophenyl)amin...) Show SMILES CCCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C20H17ClFN5O/c1-2-3-4-5-6-19(28)27-18-10-14-17(11-23-18)24-12-25-20(14)26-13-7-8-16(22)15(21)9-13/h7-12H,2-4H2,1H3,(H,23,27,28)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB2 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182692 (CHEMBL202424 | N-[4-[(3-chloro-4-fluorophenyl)amin...) Show SMILES CCCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C20H17ClFN5O/c1-2-3-4-5-6-19(28)27-18-10-14-17(11-23-18)24-12-25-20(14)26-13-7-8-16(22)15(21)9-13/h7-12H,2-4H2,1H3,(H,23,27,28)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of HER stimulated human erbB autophosphorylation in MDA-MB-453 cells				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair