Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50299494'   

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))	BDBM50299494 (CHEMBL584714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCCNC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-20-9-6-12-30-14-20)34-22-10-11-24-21(13-22)15-33-37(24)16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,15,18,20,28,30H,2,6,9,12,14,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
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