Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50236374'   

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))	BDBM50236374 ((R)-N,N-dimethyl-2-(4-(1-(thiazol-4-ylmethyl)-1H-i...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-21-6-4-5-19-22(21)23(26-13-25-19)29-17-7-8-20-16(9-17)10-28-31(20)11-18-12-34-14-27-18/h4-10,12-15H,11H2,1-3H3,(H,25,26,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
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