Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50134262'   

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))	BDBM50134262 (CHEMBL3746557) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4| Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...				Bioorg Med Chem Lett 26: 677-83 (2016) Article DOI: 10.1016/j.bmcl.2015.11.040 BindingDB Entry DOI: 10.7270/Q2K35WH9
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