Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'weingarten' and Initial = 'gg'   

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...)	BDBM50133948 ((S)-2-[(3aS,6S,6aR)-4-(6-Hydroxymethyl-benzothiazo...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(CO)cc3s2)cc1 Show InChI InChI=1S/C30H35N5O4S/c1-17(2)20-7-9-21(10-8-20)31-29(39)33-13-4-5-24(33)28(38)34-14-12-23-26(34)18(3)27(37)35(23)30-32-22-11-6-19(16-36)15-25(22)40-30/h6-11,15,17-18,23-24,26,36H,4-5,12-14,16H2,1-3H3,(H,31,39)/t18-,23-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219760 (CHEMBL286895) Show SMILES O=C(Cn1ccc(nc1=O)N1CCOCC1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H34N6O7/c40-30(20-38-12-9-29(35-32(38)42)36-13-15-44-16-14-36)34-19-26-18-24-17-22(5-6-28(24)46-26)31(41)37-10-7-25(8-11-37)39-27-4-2-1-3-23(27)21-45-33(39)43/h1-6,9,12,17-18,25H,7-8,10-11,13-16,19-21H2,(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219779 (CHEMBL30510) Show SMILES O=C(Cn1ccc(nc1=O)-c1ccccc1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H31N5O6/c41-32(21-39-17-14-29(37-34(39)43)23-6-2-1-3-7-23)36-20-28-19-26-18-24(10-11-31(26)46-28)33(42)38-15-12-27(13-16-38)40-30-9-5-4-8-25(30)22-45-35(40)44/h1-11,14,17-19,27H,12-13,15-16,20-22H2,(H,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219786 (CHEMBL285820) Show SMILES Cn1ncc2c1ncn(CC(=O)NCc1cc3cc(ccc3o1)C(=O)N1CCC(CC1)N1C(=O)OCc3ccccc13)c2=O Show InChI InChI=1S/C31H29N7O6/c1-35-28-24(15-34-35)30(41)37(18-33-28)16-27(39)32-14-23-13-21-12-19(6-7-26(21)44-23)29(40)36-10-8-22(9-11-36)38-25-5-3-2-4-20(25)17-43-31(38)42/h2-7,12-13,15,18,22H,8-11,14,16-17H2,1H3,(H,32,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50113050 (CHEMBL31065 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxazi...) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C31H27F3N4O6/c32-31(33,34)22-6-8-28(40)37(16-22)17-27(39)35-15-24-14-21-13-19(5-7-26(21)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-20(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133960 ((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 Show InChI InChI=1S/C26H34N4O4/c1-15(2)17-8-10-19(11-9-17)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(3)23(31)30(20)24(32)18-6-7-18/h8-11,15-16,18,20-22H,4-7,12-14H2,1-3H3,(H,27,34)/t16-,20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133962 ((3S,3aR,6aS)-4-({(2S)-1-[(5-Chloro-3-methyl-1-benz...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2sc3ccc(Cl)cc3c2C)N(C(=O)C2CC2)C1=O |r| Show InChI InChI=1S/C26H28ClN3O4S/c1-13-17-12-16(27)7-8-20(17)35-22(13)26(34)28-10-3-4-19(28)25(33)29-11-9-18-21(29)14(2)23(31)30(18)24(32)15-5-6-15/h7-8,12,14-15,18-19,21H,3-6,9-11H2,1-2H3/t14-,18-,19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219762 (CHEMBL283894) Show SMILES CCOc1ccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(=O)n1 Show InChI InChI=1S/C31H31N5O7/c1-2-41-28-11-14-35(30(39)33-28)18-27(37)32-17-24-16-22-15-20(7-8-26(22)43-24)29(38)34-12-9-23(10-13-34)36-25-6-4-3-5-21(25)19-42-31(36)40/h3-8,11,14-16,23H,2,9-10,12-13,17-19H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219774 (CHEMBL281243) Show SMILES COc1cccn(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1=O Show InChI InChI=1S/C31H30N4O7/c1-40-27-7-4-12-34(30(27)38)18-28(36)32-17-24-16-22-15-20(8-9-26(22)42-24)29(37)33-13-10-23(11-14-33)35-25-6-3-2-5-21(25)19-41-31(35)39/h2-9,12,15-16,23H,10-11,13-14,17-19H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50113051 (CHEMBL284442 | N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxaz...) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(cnc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)21-5-6-26(40)37(15-21)16-25(39)34-14-23-12-19-11-20(13-35-27(19)44-23)28(41)36-9-7-22(8-10-36)38-24-4-2-1-3-18(24)17-43-29(38)42/h1-6,11-13,15,22H,7-10,14,16-17H2,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219775 (CHEMBL31651) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccc(Cl)cc23)c1 Show InChI InChI=1S/C31H26ClF3N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219776 (CHEMBL32404) Show SMILES FC(F)(F)c1cc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cn1 Show InChI InChI=1S/C30H26F3N5O6/c31-30(32,33)25-13-27(40)37(17-35-25)15-26(39)34-14-22-12-20-11-18(5-6-24(20)44-22)28(41)36-9-7-21(8-10-36)38-23-4-2-1-3-19(23)16-43-29(38)42/h1-6,11-13,17,21H,7-10,14-16H2,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50029649 (1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...) Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219783 (CHEMBL282494) Show SMILES Fc1ccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c2c1 Show InChI InChI=1S/C31H26F4N4O6/c32-22-4-1-19-17-44-30(43)39(25(19)13-22)23-7-9-37(10-8-23)29(42)18-2-5-26-20(11-18)12-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)3-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219764 (CHEMBL281044) Show SMILES O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C34H30N4O6/c39-31(20-37-14-11-22-5-1-3-7-28(22)33(37)41)35-19-27-18-25-17-23(9-10-30(25)44-27)32(40)36-15-12-26(13-16-36)38-29-8-4-2-6-24(29)21-43-34(38)42/h1-11,14,17-18,26H,12-13,15-16,19-21H2,(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219509 (CHEMBL287325) Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219785 (CHEMBL283039) Show SMILES Fc1ccc2N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)C(=O)OCc2c1 Show InChI InChI=1S/C31H26F4N4O6/c32-22-3-4-25-20(12-22)17-44-30(43)39(25)23-7-9-37(10-8-23)29(42)18-1-5-26-19(11-18)13-24(45-26)14-36-27(40)16-38-15-21(31(33,34)35)2-6-28(38)41/h1-6,11-13,15,23H,7-10,14,16-17H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133951 (2-{(3S,3aR,6aS)-4-[(S)-1-(4-Isopropyl-phenylcarbam...) Show SMILES CCOC(=O)c1ccc2nc(sc2c1)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C Show InChI InChI=1S/C32H37N5O5S/c1-5-42-30(40)21-10-13-23-26(17-21)43-32(34-23)37-24-14-16-36(27(24)19(4)28(37)38)29(39)25-7-6-15-35(25)31(41)33-22-11-8-20(9-12-22)18(2)3/h8-13,17-19,24-25,27H,5-7,14-16H2,1-4H3,(H,33,41)/t19-,24-,25-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219781 (CHEMBL30910) Show SMILES Fc1cccc2COC(=O)N(C3CCN(CC3)C(=O)c3ccc4oc(CNC(=O)Cn5cc(ccc5=O)C(F)(F)F)cc4c3)c12 Show InChI InChI=1S/C31H26F4N4O6/c32-24-3-1-2-19-17-44-30(43)39(28(19)24)22-8-10-37(11-9-22)29(42)18-4-6-25-20(12-18)13-23(45-25)14-36-26(40)16-38-15-21(31(33,34)35)5-7-27(38)41/h1-7,12-13,15,22H,8-11,14,16-17H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219761 (CHEMBL287101) Show SMILES Fc1cc2oc(CNC(=O)Cn3cc(ccc3=O)C(F)(F)F)cc2cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C31H26F4N4O6/c32-24-13-26-19(11-22(45-26)14-36-27(40)16-38-15-20(31(33,34)35)5-6-28(38)41)12-23(24)29(42)37-9-7-21(8-10-37)39-25-4-2-1-3-18(25)17-44-30(39)43/h1-6,11-13,15,21H,7-10,14,16-17H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133989 ((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...) Show SMILES CCCOc1ccc(cc1)-c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 Show InChI InChI=1S/C32H38N4O5/c1-3-19-41-25-14-10-22(11-15-25)21-8-12-24(13-9-21)33-32(40)34-17-4-5-27(34)31(39)35-18-16-26-28(35)20(2)29(37)36(26)30(38)23-6-7-23/h8-15,20,23,26-28H,3-7,16-19H2,1-2H3,(H,33,40)/t20-,26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133981 ((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...) Show SMILES CCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 |r| Show InChI InChI=1S/C26H34N4O5/c1-3-15-35-19-10-8-18(9-11-19)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(2)23(31)30(20)24(32)17-6-7-17/h8-11,16-17,20-22H,3-7,12-15H2,1-2H3,(H,27,34)/t16-,20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219773 (CHEMBL445875) Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cccc(n2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C34H27F3N4O5/c35-34(36,37)24-9-11-31(42)40(18-24)19-25-5-3-6-27(38-25)30-17-23-16-21(8-10-29(23)46-30)32(43)39-14-12-26(13-15-39)41-28-7-2-1-4-22(28)20-45-33(41)44/h1-11,16-18,26H,12-15,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219770 (CHEMBL283676) Show SMILES [H][C@@]1(Cn2cc(ccc2=O)C(F)(F)F)CCCCN1Cc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)26-9-11-32(43)41(19-26)20-28-6-3-4-14-40(28)21-29-18-25-17-23(8-10-31(25)47-29)33(44)39-15-12-27(13-16-39)42-30-7-2-1-5-24(30)22-46-34(42)45/h1-2,5,7-11,17-19,27-28H,3-4,6,12-16,20-22H2/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133952 ((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133961 ((S)-2-{(3aS,6S,6aR)-4-[5-(Difluoro-methanesulfonyl...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3cc(ccc3s2)S(=O)(=O)C(F)F)cc1 Show InChI InChI=1S/C30H33F2N5O5S2/c1-16(2)18-6-8-19(9-7-18)33-29(40)35-13-4-5-23(35)27(39)36-14-12-22-25(36)17(3)26(38)37(22)30-34-21-15-20(10-11-24(21)43-30)44(41,42)28(31)32/h6-11,15-17,22-23,25,28H,4-5,12-14H2,1-3H3,(H,33,40)/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219782 (CHEMBL281081) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3ccc(cc3s2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C30H26F3N5O5S/c31-30(32,33)20-6-8-27(40)37(15-20)16-25(39)34-14-26-35-22-7-5-18(13-24(22)44-26)28(41)36-11-9-21(10-12-36)38-23-4-2-1-3-19(23)17-43-29(38)42/h1-8,13,15,21H,9-12,14,16-17H2,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133969 ((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O Show InChI InChI=1S/C24H27F3N4O4/c1-13-19-17(31(20(13)32)21(33)14-4-5-14)10-12-30(19)22(34)18-3-2-11-29(18)23(35)28-16-8-6-15(7-9-16)24(25,26)27/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,28,35)/t13-,17-,18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133957 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1 Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133973 ((S)-2-[(3aS,6S,6aR)-4-(6-Fluoro-benzothiazol-2-yl)...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(F)cc3s2)cc1 Show InChI InChI=1S/C29H32FN5O3S/c1-16(2)18-6-9-20(10-7-18)31-28(38)33-13-4-5-23(33)27(37)34-14-12-22-25(34)17(3)26(36)35(22)29-32-21-11-8-19(30)15-24(21)39-29/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,31,38)/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133980 ((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...) Show SMILES CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 |r| Show InChI InChI=1S/C26H34N4O5/c1-15(2)35-19-10-8-18(9-11-19)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(3)23(31)30(20)24(32)17-6-7-17/h8-11,15-17,20-22H,4-7,12-14H2,1-3H3,(H,27,34)/t16-,20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50107904 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(5-di...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(=O)C2CC2)C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17-25-22(32(26(17)33)27(34)18-12-13-18)14-16-30(25)28(35)23-10-6-15-31(23)38(36,37)24-11-5-7-19-20(24)8-4-9-21(19)29(2)3/h4-5,7-9,11,17-18,22-23,25H,6,10,12-16H2,1-3H3/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity towards Human cytomegalovirus (HCMV) protease				J Med Chem 45: 1-18 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NZ1
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50107904 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(5-di...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(=O)C2CC2)C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17-25-22(32(26(17)33)27(34)18-12-13-18)14-16-30(25)28(35)23-10-6-15-31(23)38(36,37)24-11-5-7-19-20(24)8-4-9-21(19)29(2)3/h4-5,7-9,11,17-18,22-23,25H,6,10,12-16H2,1-3H3/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133950 ((S)-2-[(3aS,6S,6aR)-6-Methyl-5-oxo-4-(6-trifluorom...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(OC(F)(F)F)cc3s2)cc1 Show InChI InChI=1S/C30H32F3N5O4S/c1-16(2)18-6-8-19(9-7-18)34-28(41)36-13-4-5-23(36)27(40)37-14-12-22-25(37)17(3)26(39)38(22)29-35-21-11-10-20(15-24(21)43-29)42-30(31,32)33/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,34,41)/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133992 ((3S,3aR,6aS)-4-[(S)-1-(Biphenyl-4-carbonyl)-pyrrol...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc(cc2)-c2ccccc2)N(C(=O)C2CC2)C1=O Show InChI InChI=1S/C29H31N3O4/c1-18-25-23(32(26(18)33)28(35)22-13-14-22)15-17-31(25)29(36)24-8-5-16-30(24)27(34)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-12,18,22-25H,5,8,13-17H2,1H3/t18-,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133953 ((S)-2-((3aS,6S,6aR)-6-Methyl-5-oxo-4-thiazolo[5,4-...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3cccnc3s2)cc1 Show InChI InChI=1S/C28H32N6O3S/c1-16(2)18-8-10-19(11-9-18)30-27(37)32-14-5-7-22(32)26(36)33-15-12-21-23(33)17(3)25(35)34(21)28-31-20-6-4-13-29-24(20)38-28/h4,6,8-11,13,16-17,21-23H,5,7,12,14-15H2,1-3H3,(H,30,37)/t17-,21-,22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133974 ((S)-2-[(3aS,6S,6aR)-4-(5-Methoxy-benzothiazol-2-yl...) Show SMILES COc1ccc2sc(nc2c1)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C Show InChI InChI=1S/C30H35N5O4S/c1-17(2)19-7-9-20(10-8-19)31-29(38)33-14-5-6-24(33)28(37)34-15-13-23-26(34)18(3)27(36)35(23)30-32-22-16-21(39-4)11-12-25(22)40-30/h7-12,16-18,23-24,26H,5-6,13-15H2,1-4H3,(H,31,38)/t18-,23-,24-,26+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133975 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-(6-nitro-benzothiaz...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H32N6O5S/c1-16(2)18-6-8-19(9-7-18)30-28(38)32-13-4-5-23(32)27(37)33-14-12-22-25(33)17(3)26(36)34(22)29-31-21-11-10-20(35(39)40)15-24(21)41-29/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,30,38)/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219780 (CHEMBL287629) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c1 Show InChI InChI=1S/C32H29F3N4O5/c33-32(34,35)23-7-10-29(41)38(18-23)19-28(40)36-17-25-16-22-15-21(5-8-27(22)44-25)31(43)37-13-11-24(12-14-37)39-26-4-2-1-3-20(26)6-9-30(39)42/h1-5,7-8,10,15-16,18,24H,6,9,11-14,17,19H2,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219777 (CHEMBL281988) Show SMILES FC(F)(F)c1ccc(=O)n(c1)[C@@H]1CCCN(Cc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1 Show InChI InChI=1S/C34H33F3N4O5/c35-34(36,37)25-8-10-31(42)40(18-25)27-5-3-13-38(19-27)20-28-17-24-16-22(7-9-30(24)46-28)32(43)39-14-11-26(12-15-39)41-29-6-2-1-4-23(29)21-45-33(41)44/h1-2,4,6-10,16-18,26-27H,3,5,11-15,19-21H2/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133959 ((S)-2-[(3aS,6S,6aR)-4-(5-Chloro-benzothiazol-2-yl)...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3cc(Cl)ccc3s2)cc1 Show InChI InChI=1S/C29H32ClN5O3S/c1-16(2)18-6-9-20(10-7-18)31-28(38)33-13-4-5-23(33)27(37)34-14-12-22-25(34)17(3)26(36)35(22)29-32-21-15-19(30)8-11-24(21)39-29/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,31,38)/t17-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133964 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1 Show InChI InChI=1S/C25H33N3O6S/c1-3-15-34-18-8-10-19(11-9-18)35(32,33)27-13-4-5-21(27)25(31)26-14-12-20-22(26)16(2)23(29)28(20)24(30)17-6-7-17/h8-11,16-17,20-22H,3-7,12-15H2,1-2H3/t16-,20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133978 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...) Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1 Show InChI InChI=1S/C31H37N3O6S/c1-3-19-40-24-12-8-21(9-13-24)22-10-14-25(15-11-22)41(38,39)33-17-4-5-27(33)31(37)32-18-16-26-28(32)20(2)29(35)34(26)30(36)23-6-7-23/h8-15,20,23,26-28H,3-7,16-19H2,1-2H3/t20-,26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50107914 (4-Acetyl-1-[1-(5-dimethylamino-naphthalene-1-sulfo...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(C)=O)C1=O Show InChI InChI=1S/C26H32N4O5S/c1-16-24-21(30(17(2)31)25(16)32)13-15-28(24)26(33)22-11-7-14-29(22)36(34,35)23-12-6-8-18-19(23)9-5-10-20(18)27(3)4/h5-6,8-10,12,16,21-22,24H,7,11,13-15H2,1-4H3/t16-,21-,22-,24+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity towards Human cytomegalovirus (HCMV) protease				J Med Chem 45: 1-18 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NZ1
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133956 ((S)-2-[(3aS,6S,6aR)-4-(4-Methoxy-benzothiazol-2-yl...) Show SMILES COc1cccc2sc(nc12)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C Show InChI InChI=1S/C30H35N5O4S/c1-17(2)19-10-12-20(13-11-19)31-29(38)33-15-6-7-22(33)28(37)34-16-14-21-26(34)18(3)27(36)35(21)30-32-25-23(39-4)8-5-9-24(25)40-30/h5,8-13,17-18,21-22,26H,6-7,14-16H2,1-4H3,(H,31,38)/t18-,21-,22-,26+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133977 ((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)N(C(=O)C2CC2)C1=O |r| Show InChI InChI=1S/C23H27ClN4O4/c1-13-19-17(28(20(13)29)21(30)14-4-5-14)10-12-27(19)22(31)18-3-2-11-26(18)23(32)25-16-8-6-15(24)7-9-16/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,25,32)/t13-,17-,18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133979 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-is...) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1 Show InChI InChI=1S/C25H33N3O6S/c1-15(2)34-18-8-10-19(11-9-18)35(32,33)27-13-4-5-21(27)25(31)26-14-12-20-22(26)16(3)23(29)28(20)24(30)17-6-7-17/h8-11,15-17,20-22H,4-7,12-14H2,1-3H3/t16-,20-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133988 ((3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-3-methyl-4-{[...) Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)N(C(=O)C2CC2)C1=O |r| Show InChI InChI=1S/C26H29N3O5S/c1-16-23-21(29(24(16)30)25(31)18-8-9-18)12-14-27(23)26(32)22-7-4-13-28(22)35(33,34)20-11-10-17-5-2-3-6-19(17)15-20/h2-3,5-6,10-11,15-16,18,21-23H,4,7-9,12-14H2,1H3/t16-,21-,22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50133982 ((S)-2-[(3aS,6S,6aR)-4-(4-Chloro-benzothiazol-2-yl)...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3c(Cl)cccc3s2)cc1 Show InChI InChI=1S/C29H32ClN5O3S/c1-16(2)18-9-11-19(12-10-18)31-28(38)33-14-5-7-22(33)27(37)34-15-13-21-25(34)17(3)26(36)35(21)29-32-24-20(30)6-4-8-23(24)39-29/h4,6,8-12,16-17,21-22,25H,5,7,13-15H2,1-3H3,(H,31,38)/t17-,21-,22-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133985 ((S)-2-[(3aS,6S,6aR)-4-(6-Methoxy-benzothiazol-2-yl...) Show SMILES COc1ccc2nc(sc2c1)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C Show InChI InChI=1S/C30H35N5O4S/c1-17(2)19-7-9-20(10-8-19)31-29(38)33-14-5-6-24(33)28(37)34-15-13-23-26(34)18(3)27(36)35(23)30-32-22-12-11-21(39-4)16-25(22)40-30/h7-12,16-18,23-24,26H,5-6,13-15H2,1-4H3,(H,31,38)/t18-,23-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair

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