Compile Data Set for Download or QSAR

Found 135 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255]'   

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,'YVMA',776-1255] (Homo sapiens (Human))	BDBM50468247 (HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536943 (US11896597, Compound 63) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1CC1CC1)-c1cccc(c1)-c1ccc(C)cc1 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536921 (US11896597, Compound 46) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(cc2F)S(N)(=O)=O)c1C1CC1)-c1cccc(c1)-c1ccccc1 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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536896 (US11896597, Compound 21) Show SMILES Cn1cc(cn1)-c1cc(ccc1F)-c1c(Cc2ccc(c(F)c2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O 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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536982 (US11896597, Compound 96) Show SMILES CC(C)c1ccc(cc1)-c1cc(ccc1F)-c1c(Cc2ccc(cc2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O 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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536980 (US11896597, Compound 95) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC(F)(F)F)nn(-c3nc(cs3)C(O)=O)c2-c2cccc(c2)-c2ccccc2)cc1 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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536932 (US11896597, Compound 57) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccc(F)c(c2)-c2cccc(F)c2)c(F)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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536923 (US11896597, Compound 48) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(F)cc1 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536983 (US11896597, Compound 97) Show SMILES CC(C)c1ccc(cc1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536918 (US11896597, Compound 43) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2ccc(F)c(c2)-c2cccc(F)c2)cc1 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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536920 (US11896597, Compound 45) Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(-c2nc(cs2)C(O)=O)c(c1Cc1ccc(cc1)S(N)(=O)=O)C(F)(F)F 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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM518642 (US11896597, Compound 11) Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC3(C)COC3)c(cc2c1)C1=NC(C)=NC1 |c:32,t:29| 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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536984 (US11896597, Compound 98) Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1F)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM528566 (US11896597, Compound 12 | US11896597, Compound 37) Show SMILES COc1ccnc(c1)N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM528566 (US11896597, Compound 12 | US11896597, Compound 37) Show SMILES COc1ccnc(c1)N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1 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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536936 (US11896597, Compound 59) Show SMILES CN1CCC(=CC1)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O |c:4| 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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM528597 (US11896597, Compound 15) Show SMILES Clc1cc(ccn1)N1CCN(CCC2CC(=O)C3(C2)CCCCC3)CC1 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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536909 (US11896597, Compound 34) Show SMILES Cc1ncc(s1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536948 (US11896597, Compound 67) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C#C)-c2ccccc2)cc1 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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536906 (US11896597, Compound 31) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1CC1CC1)-c1ccc(F)c(c1)-c1ccc(C)s1 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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536922 (US11896597, Compound 47) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1 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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536979 (US11896597, Compound 94) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2(CC2)C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1F 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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536972 (US11896597, Compound 88) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)nn(-c3nc(cs3)C(O)=O)c2-c2ccc(F)c(Br)c2)cc1 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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM371610 (US11896597, Compound 2) Show SMILES CCC1(CC)CC(CCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)OC1=O Show InChI InChI=1S/C28H37NO3/c1-3-27(4-2)21-25(32-26(27)30)17-20-29-18-15-24(16-19-29)28(31,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,24-25,31H,3-4,15-21H2,1-2H3	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536910 (US11896597, Compound 35) Show SMILES Cc1ccc(s1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1F)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (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	4.90	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,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536915 (US11896597, Compound 40) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)nn(-c3nc(cs3)C(O)=O)c2-c2ccc(F)c(c2)-c2cccc(F)c2)cc1 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536911 (US11896597, Compound 36) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2cccs2)-c2nc(cs2)C(O)=O)cc1F 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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM507755 (US11896597, Compound 22 | US11896597, Compound 4) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@]3(C)CCOC3)c2n1)-c1cnn(C)c1 |r| 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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM507755 (US11896597, Compound 22 | US11896597, Compound 4) Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@]3(C)CCOC3)c2n1)-c1cnn(C)c1 |r| 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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536905 (US11896597, Compound 30) Show SMILES Cc1ccc(s1)-c1cc(ccc1F)-c1c(Cc2ccc(c(F)c2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O 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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536892 (US11896597, Compound 17) Show SMILES Cn1cc(cn1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1F)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536924 (US11896597, Compound 49) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1cccc(F)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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536973 (US11896597, Compound 89) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Br)c2)-c2nc(cs2)C(O)=O)cc1 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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536965 (US11896597, Compound 82) Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (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	7.10	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,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536927 (US11896597, Compound 52 | US11896597, Compound 77) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccc(F)c(c2)-c2ccc(F)cc2)cc1F 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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536904 (US11896597, Compound 29) Show SMILES Cc1ccc(s1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536931 (US11896597, Compound 56) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccc(F)c(c2)-c2ccc(F)cc2)c(F)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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536907 (US11896597, Compound 32) Show SMILES Cc1ccc(o1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536908 (US11896597, Compound 33) Show SMILES Cc1cnc(s1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536919 (US11896597, Compound 44) Show SMILES COc1cccc(c1)-c1cc(ccc1F)-c1nn(-c2nc(cs2)C(O)=O)c(c1Cc1ccc(cc1)S(N)(=O)=O)C(F)(F)F 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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536946 (US11896597, Compound 66) Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1CC1CC1)-c1cccc(c1)C#CC 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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536930 (US11896597, Compound 55) Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(-c2nc(cs2)C(O)=O)c(C2CC2)c1Cc1ccc(cc1F)S(N)(=O)=O 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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536954 (US11896597, Compound 72) Show SMILES COc1cc(ccc1F)-c1c(Cc2ccc(cc2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O 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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536941 (US11896597, Compound 61 | US11896597, Compound 68) Show SMILES CC(=C)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O 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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536916 (US11896597, Compound 41) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2cccc(F)c2)-c2nc(cs2)C(O)=O)cc1 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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] (Homo sapiens (Human))	BDBM536913 (US11896597, Compound 38) Show SMILES COc1cccc(c1)-c1cc(ccc1F)-c1c(Cc2ccc(cc2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O 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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research									J Med Chem 50: 4728-45 (2007) BindingDB Entry DOI: 10.7270/Q2S75JMR
					More data for this Ligand-Target Pair

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