Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50272808'   

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))	BDBM50272808 (CHEMBL497863 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F |w:26.29| Show InChI InChI=1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-30-11-21(23,24)25/h1-8,12H,9-11H2,(H3,26,27,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272808 (CHEMBL497863 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F |w:26.29| Show InChI InChI=1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-30-11-21(23,24)25/h1-8,12H,9-11H2,(H3,26,27,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErB2 phosphorylation in human SKBR3 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair