Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255]'   

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 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557849 (1-(3-((4-((3,4-dichlorophenyl)amino)-7-methoxyquin...) Show SMILES COC1=CC2N=CN=C(Nc3ccc(Cl)c(Cl)c3)C2C=C1OC1CN(C1)C(=O)C=C |c:5,21,t:2,7| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557865 (1-(4-((4-((3,4-dichloro- phenyl)amino)-7-methoxy- ...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557852 (1-(3-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-me...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557872 (1-(4-((4-((4-bromo-3- chlorophenyl)amino)-7- metho...) Show SMILES COc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557875 (1-(3-((7-methoxy-4- (phenylamino)quinazolin-6- yl)...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557851 (1-(3-((4-((2,4-dichlorophenyl)amino)-7-methoxyquin...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557868 (1-(3-((4-((4-bromo-3- chlorophenyl)amino)-7- metho...) Show SMILES COc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557873 (1-(4-((7-methoxy-4- (phenylamino)quinazolin-6- yl)...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557850 (6-((1-acryloylpiperidin-4-yl)oxy)-4-((3,4-dichloro...) Show SMILES COC1=CC2N=CC(C#N)=C(Nc3ccc(Cl)c(Cl)c3F)C2C=C1OC1CCN(CC1)C(=O)C=C |c:5,24,t:2,9| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557846 (1-(4-((4-((2,4-dichlorophenyl)amino)-7-methoxyquin...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557870 (1-(3-((4-((3,4-dichloro-2- fluorophenyl)amino)-7- ...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557871 (1-(3-((7-methoxy-4-((4- (trifluoromethyl)phenyl)- ...) Show SMILES COc1cc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557867 (1-(4-((7-methoxy-4-((3- (oxazol-5-yl)phenyl)- amin...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3cnco3)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557866 (1-(3-((7-methoxy-4-((3- (oxazol-5-yl)phenyl)- amin...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3cnco3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557854 (US11365189, Ex. No. 9) Show SMILES Clc1ccc(Nc2ncnc3ccc(OC4CN(C4)C(=O)C=C)nc23)cc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557869 (1-(3-((4-((3-cyclopropyl- phenyl)amino)-7-methoxy-...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C3CC3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557877 (1-(3-((7-methoxy-4-((3- (oxazol-5-yl)phenyl)- amin...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3cnco3)c2cc1OC1CCN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557876 (1-(3-((4-((3-chloro-4- (trifluoromethoxy)phenyl)- ...) Show SMILES COc1cc2ncnc(Nc3ccc(OC(F)(F)F)c(Cl)c3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557878 (1-(3-((7-methoxy-4- (phenylamino)quinazolin-6- yl)...) Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC1CCN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557880 (1-(3-((4-((4-chloro-3- (hydroxymethyl)phenyl)- ami...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(CO)c3)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557881 (1-(3-((4-((4-bromo-3- chlorophenyl)amino)- pyrido[...) Show SMILES Clc1cc(Nc2ncnc3ccc(OC4CN(C4)C(=O)C=C)nc23)ccc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557874 (1-(3-((4-((2,4-dichloro- phenyl)amino)-7-methoxy- ...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC1CCN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557848 (1-(3-((4-((2,4-dichlorophenyl)amino)pyrido[3,4-d]p...) Show SMILES Clc1ccc(Nc2ncnc3cnc(OC4CN(C4)C(=O)C=C)cc23)c(Cl)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'VC',777-1255] (Homo sapiens (Human))	BDBM557879 (1-(3-((7-methoxy-4-((1- methyl-1H-indazol-7-yl)- a...) Show SMILES COc1cc2ncnc(Nc3cccc4cnn(C)c34)c2cc1OC1CN(C1)C(=O)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z322V4
					More data for this Ligand-Target Pair