Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' AND taxid = 10116   

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 (Rattus norvegicus)	BDBM50099960 ((1-Benzyl-1H-indazol-5-yl)-(6,7-dimethoxy-quinazol...) Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1OC Show InChI InChI=1S/C24H21N5O2/c1-30-22-11-19-20(12-23(22)31-2)25-15-26-24(19)28-18-8-9-21-17(10-18)13-27-29(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	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099969 ((2-Benzyl-1H-benzoimidazol-5-yl)-(6,7-dimethoxy-qu...) Show SMILES COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC Show InChI InChI=1S/C24H21N5O2/c1-30-21-12-17-19(13-22(21)31-2)25-14-26-24(17)27-16-8-9-18-20(11-16)29-23(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	10	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099965 ((1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine |...) Show SMILES C(c1ccccc1)n1ncc2cc(Nc3ncnc4ccccc34)ccc12 Show InChI InChI=1S/C22H17N5/c1-2-6-16(7-3-1)14-27-21-11-10-18(12-17(21)13-25-27)26-22-19-8-4-5-9-20(19)23-15-24-22/h1-13,15H,14H2,(H,23,24,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099971 (CHEMBL288557 | N*4*-(1-Benzyl-1H-indol-5-yl)-pyrid...) Show SMILES Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ccc4c3)ncnc2cn1 Show InChI InChI=1S/C22H18N6/c23-21-11-18-19(12-24-21)25-14-26-22(18)27-17-6-7-20-16(10-17)8-9-28(20)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H2,23,24)(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099966 (CHEMBL281006 | N*4*-(1-Benzyl-1H-indazol-5-yl)-pyr...) Show SMILES Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C21H17N7/c22-20-9-17-18(11-23-20)24-13-25-21(17)27-16-6-7-19-15(8-16)10-26-28(19)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,22,23)(H,24,25,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099968 (CHEMBL31653 | N*4*-(2-Benzyl-1H-benzoimidazol-5-yl...) Show SMILES Nc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1 Show InChI InChI=1S/C21H17N7/c22-19-10-15-18(11-23-19)24-12-25-21(15)26-14-6-7-16-17(9-14)28-20(27-16)8-13-4-2-1-3-5-13/h1-7,9-12H,8H2,(H2,22,23)(H,27,28)(H,24,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099970 ((1-Benzyl-1H-indol-5-yl)-(6,7-dimethoxy-quinazolin...) Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1OC Show InChI InChI=1S/C25H22N4O2/c1-30-23-13-20-21(14-24(23)31-2)26-16-27-25(20)28-19-8-9-22-18(12-19)10-11-29(22)15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,26,27,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	49	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099967 ((1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine | C...) Show SMILES C(c1ccccc1)n1ccc2cc(Nc3ncnc4ccccc34)ccc12 Show InChI InChI=1S/C23H18N4/c1-2-6-17(7-3-1)15-27-13-12-18-14-19(10-11-22(18)27)26-23-20-8-4-5-9-21(20)24-16-25-23/h1-14,16H,15H2,(H,24,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099961 ((2-Benzyl-2H-indazol-5-yl)-(6,7-dimethoxy-quinazol...) Show SMILES COc1cc2ncnc(Nc3ccc4nn(Cc5ccccc5)cc4c3)c2cc1OC Show InChI InChI=1S/C24H21N5O2/c1-30-22-11-19-21(12-23(22)31-2)25-15-26-24(19)27-18-8-9-20-17(10-18)14-29(28-20)13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	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 rat Receptor protein-tyrosine kinase erbB2				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
Receptor tyrosine-protein kinase erbB-2 (Rattus norvegicus)	BDBM50099959 ((2-Benzyl-1H-benzoimidazol-5-yl)-quinazolin-4-yl-a...) Show SMILES C(c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1)c1ccccc1 Show InChI InChI=1S/C22H17N5/c1-2-6-15(7-3-1)12-21-26-19-11-10-16(13-20(19)27-21)25-22-17-8-4-5-9-18(17)23-14-24-22/h1-11,13-14H,12H2,(H,26,27)(H,23,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	560	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099962 ((3-Benzyl-3H-benzoimidazol-5-yl)-quinazolin-4-yl-a...) Show SMILES C(c1ccccc1)n1cnc2ccc(Nc3ncnc4ccccc34)cc12 Show InChI InChI=1S/C22H17N5/c1-2-6-16(7-3-1)13-27-15-25-20-11-10-17(12-21(20)27)26-22-18-8-4-5-9-19(18)23-14-24-22/h1-12,14-15H,13H2,(H,23,24,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	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 rat Receptor protein-tyrosine kinase erbB2				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)	BDBM50099964 ((1-Benzyl-1H-benzoimidazol-5-yl)-quinazolin-4-yl-a...) Show SMILES C(c1ccccc1)n1cnc2cc(Nc3ncnc4ccccc34)ccc12 Show InChI InChI=1S/C22H17N5/c1-2-6-16(7-3-1)13-27-15-25-20-12-17(10-11-21(20)27)26-22-18-8-4-5-9-19(18)23-14-24-22/h1-12,14-15H,13H2,(H,23,24,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60E+3	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 rat Receptor protein-tyrosine kinase erbB2				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair