Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50102490'   

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))	BDBM50102490 (CHEMBL3325478) Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O3/c1-3-37-27(36)24-22(18-13-16-12-15(2)9-10-19(16)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)17-6-5-11-29-14-17/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...				Bioorg Med Chem Lett 24: 4472-6 (2014) Article DOI: 10.1016/j.bmcl.2014.07.094 BindingDB Entry DOI: 10.7270/Q2PV6N5T
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