Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'upeslacis' and Initial = 'j'   

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
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143640 (4-({5-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-napht...) Show SMILES OC(=O)c1ccc(CNc2ccc3c(\C=C\c4ccc5ccc(Cl)cc5n4)cccc3c2)cc1 Show InChI InChI=1S/C29H21ClN2O2/c30-24-11-8-21-10-13-25(32-28(21)17-24)12-9-20-2-1-3-23-16-26(14-15-27(20)23)31-18-19-4-6-22(7-5-19)29(33)34/h1-17,31H,18H2,(H,33,34)/b12-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143634 (4-{[5-(4-Bromo-phenoxymethyl)-naphthalen-2-ylamino...) Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4ccc(Br)cc4)cccc3c2)cc1 Show InChI InChI=1S/C25H20BrNO3/c26-21-8-11-23(12-9-21)30-16-20-3-1-2-19-14-22(10-13-24(19)20)27-15-17-4-6-18(7-5-17)25(28)29/h1-14,27H,15-16H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143650 (4-{[5-(3-Chloro-phenoxymethyl)-naphthalen-2-ylamin...) Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4cccc(Cl)c4)cccc3c2)cc1 Show InChI InChI=1S/C25H20ClNO3/c26-21-5-2-6-23(14-21)30-16-20-4-1-3-19-13-22(11-12-24(19)20)27-15-17-7-9-18(10-8-17)25(28)29/h1-14,27H,15-16H2,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143617 (CHEMBL442168 | N-{5-[2-(8-Chloro-quinolin-2-yl)-vi...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4cccc(Cl)c4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-20-6-2-4-15-8-10-17(27-21(15)20)9-7-14-3-1-5-16-13-18(11-12-19(14)16)28-31(29,30)22(24,25)26/h1-13,28H/b9-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143630 (CHEMBL299043 | N-{5-[(E)-2-(6-Chloro-quinolin-2-yl...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4cc(Cl)ccc4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-17-6-11-21-16(12-17)5-8-18(27-21)7-4-14-2-1-3-15-13-19(9-10-20(14)15)28-31(29,30)22(24,25)26/h1-13,28H/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143627 (C,C,C-Trifluoro-N-{5-[2-(6-methoxy-quinolin-2-yl)-...) Show SMILES COc1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143623 (CHEMBL299278 | N-{5-[2-(6-Dimethylamino-quinolin-2...) Show SMILES CN(C)c1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143637 (CHEMBL56633 | N-{5-[2-(4-Chloro-phenyl)-vinyl]-nap...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc(Cl)cc3)cccc2c1 Show InChI InChI=1S/C19H13ClF3NO2S/c20-16-8-5-13(6-9-16)4-7-14-2-1-3-15-12-17(10-11-18(14)15)24-27(25,26)19(21,22)23/h1-12,24H/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143633 (4-chloro-N-[({5-[(1E)-7-chloroquinolin-2-yl)vinyl]...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C28H19Cl2N3O3S/c29-21-8-13-25(14-9-21)37(35,36)33-28(34)32-24-12-15-26-18(2-1-3-20(26)16-24)5-10-23-11-6-19-4-7-22(30)17-27(19)31-23/h1-17H,(H2,32,33,34)/b10-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143616 (4-[(5-Phenoxymethyl-naphthalen-2-ylamino)-methyl]-...) Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4ccccc4)cccc3c2)cc1 Show InChI InChI=1S/C25H21NO3/c27-25(28)19-11-9-18(10-12-19)16-26-22-13-14-24-20(15-22)5-4-6-21(24)17-29-23-7-2-1-3-8-23/h1-15,26H,16-17H2,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143621 (CHEMBL55390 | N-[5-(3-Chloro-benzyloxy)-naphthalen...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(Cl)c3)cccc2c1 Show InChI InChI=1S/C25H18ClNO4/c26-20-5-1-3-16(13-20)15-31-23-6-2-4-19-14-21(11-12-22(19)23)27-24(28)17-7-9-18(10-8-17)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143638 (CHEMBL57565 | N-[5-(3-Bromo-benzyloxy)-naphthalen-...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(Br)c3)cccc2c1 Show InChI InChI=1S/C25H18BrNO4/c26-20-5-1-3-16(13-20)15-31-23-6-2-4-19-14-21(11-12-22(19)23)27-24(28)17-7-9-18(10-8-17)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143628 (C,C,C-Trifluoro-N-{5-[2-(6-methyl-quinolin-2-yl)-v...) Show SMILES Cc1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C23H17F3N2O2S/c1-15-5-12-22-18(13-15)7-9-19(27-22)8-6-16-3-2-4-17-14-20(10-11-21(16)17)28-31(29,30)23(24,25)26/h2-14,28H,1H3/b8-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143641 (C,C,C-Trifluoro-N-{5-[2-(3-trifluoromethyl-phenyl)...) Show SMILES FC(F)(F)c1cccc(\C=C\c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1 Show InChI InChI=1S/C20H13F6NO2S/c21-19(22,23)16-6-1-3-13(11-16)7-8-14-4-2-5-15-12-17(9-10-18(14)15)27-30(28,29)20(24,25)26/h1-12,27H/b8-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143618 (C,C,C-Trifluoro-N-{5-[2-(3-methoxy-phenyl)-vinyl]-...) Show SMILES COc1cccc(\C=C\c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1 Show InChI InChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143635 (CHEMBL440672 | N-[({5-[(1E)-7-chloroquinolin-2-yl)...) Show SMILES Clc1ccc2ccc(\C=C\c3cccc4cc(NC(=O)NS(=O)(=O)c5ccccc5)ccc34)nc2c1 Show InChI InChI=1S/C28H20ClN3O3S/c29-22-12-9-20-11-14-23(30-27(20)18-22)13-10-19-5-4-6-21-17-24(15-16-26(19)21)31-28(33)32-36(34,35)25-7-2-1-3-8-25/h1-18H,(H2,31,32,33)/b13-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143632 (CHEMBL56307 | N-{5-[(E)-2-(3-Trifluoromethyl-pheny...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(\C=C\c3cccc(c3)C(F)(F)F)cccc2c1 Show InChI InChI=1S/C27H18F3NO3/c28-27(29,30)22-6-1-3-17(15-22)7-8-18-4-2-5-21-16-23(13-14-24(18)21)31-25(32)19-9-11-20(12-10-19)26(33)34/h1-16H,(H,31,32)(H,33,34)/b8-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143646 (4-({5-[(E)-2-(3-Trifluoromethyl-phenyl)-vinyl]-nap...) Show SMILES OC(=O)c1ccc(CNc2ccc3c(\C=C\c4cccc(c4)C(F)(F)F)cccc3c2)cc1 Show InChI InChI=1S/C27H20F3NO2/c28-27(29,30)23-6-1-3-18(15-23)7-10-20-4-2-5-22-16-24(13-14-25(20)22)31-17-19-8-11-21(12-9-19)26(32)33/h1-16,31H,17H2,(H,32,33)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161879 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(33)14-23)41-19-20-7-5-8-22(32)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143629 (CHEMBL57465 | N-[5-(3-Trifluoromethyl-benzyloxy)-n...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(c3)C(F)(F)F)cccc2c1 Show InChI InChI=1S/C26H18F3NO4/c27-26(28,29)20-5-1-3-16(13-20)15-34-23-6-2-4-19-14-21(11-12-22(19)23)30-24(31)17-7-9-18(10-8-17)25(32)33/h1-14H,15H2,(H,30,31)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143625 (C,C,C-Trifluoro-N-(5-styryl-naphthalen-2-yl)-metha...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccccc3)cccc2c1 Show InChI InChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161879 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(33)14-23)41-19-20-7-5-8-22(32)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143636 (4-methyl-N-[({5-[(1E)-7-chloroquinolin-2-yl)vinyl]...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C29H22ClN3O3S/c1-19-5-14-26(15-6-19)37(35,36)33-29(34)32-25-13-16-27-20(3-2-4-22(27)17-25)8-11-24-12-9-21-7-10-23(30)18-28(21)31-24/h2-18H,1H3,(H2,32,33,34)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143615 (C,C,C-Trifluoro-N-[5-(2-quinolin-2-yl-vinyl)-napht...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccccc4n3)cccc2c1 Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161948 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161903 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-23(15-27(29)37-30(39)10-7-13-38(2)3)31(21(17-34)18-35-26)36-22-11-12-28(25(33)14-22)41-19-20-8-5-6-9-24(20)32/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143643 (CHEMBL56642 | N-{5-[2-(4-Chloro-quinolin-2-yl)-vin...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3cc(Cl)c4ccccc4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-20-13-16(27-21-7-2-1-6-19(20)21)9-8-14-4-3-5-15-12-17(10-11-18(14)15)28-31(29,30)22(24,25)26/h1-13,28H/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161903 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-23(15-27(29)37-30(39)10-7-13-38(2)3)31(21(17-34)18-35-26)36-22-11-12-28(25(33)14-22)41-19-20-8-5-6-9-24(20)32/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161956 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(cs4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C33H29ClN6O2S2/c1-4-42-29-17-26-24(16-27(29)38-31(41)11-8-14-40(2)3)32(22(18-35)19-36-26)37-23-12-13-30(25(34)15-23)44-33-39-28(20-43-33)21-9-6-5-7-10-21/h5-13,15-17,19-20H,4,14H2,1-3H3,(H,36,37)(H,38,41)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143619 (C,C,C-Trifluoro-N-[5-(2-naphthalen-2-yl-vinyl)-nap...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccccc4c3)cccc2c1 Show InChI InChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161883 (4-Dimethylamino-but-2-enoic acid [4-(1-benzyl-1H-i...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C33H32N6O2/c1-4-41-31-19-28-27(18-29(31)37-32(40)11-8-15-38(2)3)33(25(20-34)21-35-28)36-26-12-13-30-24(17-26)14-16-39(30)22-23-9-6-5-7-10-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,35,36)(H,37,40)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161911 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-14-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,40,42)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143626 (CHEMBL57617 | N-{5-[2-(7-Chloro-quinolin-2-yl)-vin...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-17-7-4-15-6-9-18(27-21(15)13-17)8-5-14-2-1-3-16-12-19(10-11-20(14)16)28-31(29,30)22(24,25)26/h1-13,28H/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143620 (CHEMBL52599 | N-[5-(3-Trifluoromethyl-phenoxymethy...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3cccc(c3)C(F)(F)F)cccc2c1 Show InChI InChI=1S/C26H18F3NO4/c27-26(28,29)20-5-2-6-22(14-20)34-15-19-4-1-3-18-13-21(11-12-23(18)19)30-24(31)16-7-9-17(10-8-16)25(32)33/h1-14H,15H2,(H,30,31)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143631 (CHEMBL57169 | N-[5-(3-Chloro-phenoxymethyl)-naphth...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3cccc(Cl)c3)cccc2c1 Show InChI InChI=1S/C25H18ClNO4/c26-20-5-2-6-22(14-20)31-15-19-4-1-3-18-13-21(11-12-23(18)19)27-24(28)16-7-9-17(10-8-16)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161926 (4-Thiomorpholin-4-yl-but-2-enoic acid [4-(4-benzyl...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCSCC1 Show InChI InChI=1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143645 (CHEMBL293304 | N-{5-[(E)-2-(7-Chloro-quinolin-2-yl...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C29H19ClN2O3/c30-23-11-8-19-10-13-24(31-27(19)17-23)12-9-18-2-1-3-22-16-25(14-15-26(18)22)32-28(33)20-4-6-21(7-5-20)29(34)35/h1-17H,(H,32,33)(H,34,35)/b12-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161911 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-14-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,40,42)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161948 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161955 (4-[(2-Hydroxy-ethyl)-methyl-amino]-but-2-enoic aci...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCO Show InChI InChI=1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,40)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161907 (4-Morpholin-4-yl-but-2-enoic acid [4-(4-benzyloxy-...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1 Show InChI InChI=1S/C33H32ClN5O4/c1-2-42-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-41-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)43-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50143647 (CHEMBL56741 | N-[5-(4-Bromo-phenoxymethyl)-naphtha...) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3ccc(Br)cc3)cccc2c1 Show InChI InChI=1S/C25H18BrNO4/c26-20-8-11-22(12-9-20)31-15-19-3-1-2-18-14-21(10-13-23(18)19)27-24(28)16-4-6-17(7-5-16)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against HCMV protease.				J Med Chem 47: 1893-9 (2004) Article DOI: 10.1021/jm030540h BindingDB Entry DOI: 10.7270/Q2765DRK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161880 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(f...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccco4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C29H28ClN5O4/c1-4-37-27-15-24-22(14-25(27)34-28(36)8-5-11-35(2)3)29(19(16-31)17-32-24)33-20-9-10-26(23(30)13-20)39-18-21-7-6-12-38-21/h5-10,12-15,17H,4,11,18H2,1-3H3,(H,32,33)(H,34,36)/b8-5+	PDB MMDB KEGG 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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161947 (4-(1H-Imidazol-4-yl)-but-2-enoic acid [4-(4-benzyl...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1cnc[nH]1 |w:35.39| Show InChI InChI=1S/C32H27ClN6O3/c1-2-41-30-15-27-25(14-28(30)39-31(40)10-6-9-24-18-35-20-37-24)32(22(16-34)17-36-27)38-23-11-12-29(26(33)13-23)42-19-21-7-4-3-5-8-21/h3-8,10-15,17-18,20H,2,9,19H2,1H3,(H,35,37)(H,36,38)(H,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161891 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(33)14-23)41-19-20-7-9-22(32)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161940 (4-Dimethylamino-but-2-enoic acid [4-(4-benzyloxy-3...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H28ClN5O3/c1-36(2)13-7-10-29(37)35-26-15-23-25(16-28(26)38-3)33-18-21(17-32)30(23)34-22-11-12-27(24(31)14-22)39-19-20-8-5-4-6-9-20/h4-12,14-16,18H,13,19H2,1-3H3,(H,33,34)(H,35,37)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161938 (4-Piperidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C34H34ClN5O3/c1-2-42-32-20-29-27(19-30(32)39-33(41)12-9-17-40-15-7-4-8-16-40)34(25(21-36)22-37-29)38-26-13-14-31(28(35)18-26)43-23-24-10-5-3-6-11-24/h3,5-6,9-14,18-20,22H,2,4,7-8,15-17,23H2,1H3,(H,37,38)(H,39,41)/b12-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161946 (4-Dimethylamino-but-2-enoic acid [4-(1-benzenesulf...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H30N6O4S/c1-4-42-30-19-27-26(18-28(30)36-31(39)11-8-15-37(2)3)32(23(20-33)21-34-27)35-24-12-13-29-22(17-24)14-16-38(29)43(40,41)25-9-6-5-7-10-25/h5-14,16-19,21H,4,15H2,1-3H3,(H,34,35)(H,36,39)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161936 (4-Azetidin-1-yl-but-2-enoic acid [4-(4-benzyloxy-3...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1 Show InChI InChI=1S/C32H30ClN5O3/c1-2-40-30-18-27-25(17-28(30)37-31(39)10-6-13-38-14-7-15-38)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)41-21-22-8-4-3-5-9-22/h3-6,8-12,16-18,20H,2,7,13-15,21H2,1H3,(H,35,36)(H,37,39)/b10-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161955 (4-[(2-Hydroxy-ethyl)-methyl-amino]-but-2-enoic aci...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCO Show InChI InChI=1S/C32H32ClN5O4/c1-3-41-30-18-27-25(17-28(30)37-31(40)10-7-13-38(2)14-15-39)32(23(19-34)20-35-27)36-24-11-12-29(26(33)16-24)42-21-22-8-5-4-6-9-22/h4-12,16-18,20,39H,3,13-15,21H2,1-2H3,(H,35,36)(H,37,40)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair

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