Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM4600'   

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))	BDBM4600 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3...) Show SMILES CN(C)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C19H18BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-12H,1-2H3,(H,23,26)(H,21,22,24)/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research					Assay Description The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...				J Med Chem 44: 2719-34 (2001) Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS
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