Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50099963'   

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))	BDBM50099963 (CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...) Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELV...				Eur J Med Chem 95: 76-95 (2015) Article DOI: 10.1016/j.ejmech.2015.03.029 BindingDB Entry DOI: 10.7270/Q2PR7XP6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50099963 (CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...) Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of erbB2 overexpressing BT 474 cell proliferation				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50099963 (CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...) Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of erbB2 overexpressing HB4a.e5.2 cell proliferation				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Rattus norvegicus)	BDBM50099963 (CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...) Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of erbB2 overexpressing Calu3 cell proliferation				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Rattus norvegicus)	BDBM50099963 (CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...) Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of erbB2 overexpressing Calu3 cell proliferation				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair