Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50114250'   

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))	BDBM50114250 (1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2				Bioorg Med Chem Lett 12: 1559-62 (2002) BindingDB Entry DOI: 10.7270/Q2CV4H28
					More data for this Ligand-Target Pair