Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50240779'   

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))	BDBM50240779 (CHEMBL4067871) Show SMILES OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C28H22ClN3O2/c29-22-8-9-27(34)25(13-22)28-24(20-6-7-21-15-30-11-10-19(21)12-20)14-23(16-31-28)32-26(17-33)18-4-2-1-3-5-18/h1-16,26,32-34H,17H2/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ErbB2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA				J Med Chem 60: 6018-6035 (2017) Article DOI: 10.1021/acs.jmedchem.7b00076 BindingDB Entry DOI: 10.7270/Q2K939NC
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