Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50217191'   

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))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair