Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50327955'   

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))	BDBM50327955 (CHEMBL1256429 | trans-2-(4-(4-(4-amino-3-(4-(7-chl...) Show SMILES CN(C)C(=O)CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:15.19,wD:12.12,(13.59,-15.08,;14.63,-13.94,;16.13,-14.28,;14.16,-12.48,;15.2,-11.34,;12.66,-12.14,;12.2,-10.68,;10.69,-10.34,;10.23,-8.88,;11.26,-7.74,;12.77,-8.06,;13.23,-9.54,;10.79,-6.28,;11.82,-5.14,;11.35,-3.66,;9.84,-3.35,;8.81,-4.49,;9.28,-5.95,;9.37,-1.88,;10.27,-.65,;9.37,.6,;10.14,1.94,;11.68,1.94,;12.44,3.27,;11.67,4.6,;12.44,5.94,;13.98,5.95,;14.88,7.2,;16.34,6.73,;17.66,7.51,;18.99,6.75,;19,5.21,;17.67,4.44,;17.67,2.9,;16.34,5.2,;14.89,4.71,;10.12,4.6,;9.36,3.26,;7.9,.13,;6.58,.9,;6.58,2.44,;5.24,.12,;5.24,-1.41,;6.58,-2.18,;7.91,-1.41,)| Show InChI InChI=1S/C32H37ClN10O2/c1-40(2)26(44)18-41-14-16-42(17-15-41)22-10-12-23(13-11-22)43-31-27(30(34)35-19-36-31)28(39-43)20-6-8-21(9-7-20)37-32-38-25-5-3-4-24(33)29(25)45-32/h3-9,19,22-23H,10-18H2,1-2H3,(H,37,38)(H2,34,35,36)/t22-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 20: 6067-71 (2010) Article DOI: 10.1016/j.bmcl.2010.08.052 BindingDB Entry DOI: 10.7270/Q29S1R7Z
					More data for this Ligand-Target Pair