Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'inoue' and Initial = 'k'   

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
Vasopressin V1a receptor (Microtus ochrogaster)	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Microtus ochrogaster)	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Microtus ochrogaster)	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Microtus ochrogaster)	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Microtus ochrogaster)	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]Oxytocin from human OXTR expressed in CHO cell membranes after 90 mins by liquid scintillation counting method				Bioorg Med Chem 25: 305-315 (2017) Article DOI: 10.1016/j.bmc.2016.10.035 BindingDB Entry DOI: 10.7270/Q24T6MNC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Microtus ochrogaster)	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	UniProtKB/SwissProt 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
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50233853 (CHEMBL3392901) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)CC12CCC(CC1NC(=O)C(N)CCS(C)(=O)=O)C2(C)C |TLB:23:22:34:18.19| Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]Oxytocin from human OXTR expressed in CHO cell membranes after 90 mins by liquid scintillation counting method				Bioorg Med Chem 25: 305-315 (2017) Article DOI: 10.1016/j.bmc.2016.10.035 BindingDB Entry DOI: 10.7270/Q24T6MNC
					More data for this Ligand-Target Pair
Oxytocin receptor (Microtus ochrogaster)	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	PDB UniProtKB/TrEMBL 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
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Microtus ochrogaster)	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380758 (CHEMBL2017867) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380760 (CHEMBL2017979) Show SMILES COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380757 (CHEMBL2017868) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1 Show InChI InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366072 (5-[4-[5-(2-Methoxybenzyl)-1H-tetrazol-1-yl]phenyl]...) Show SMILES COc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C28H22N6O3/c1-37-24-9-5-3-7-19(24)16-25-30-31-32-34(25)21-13-11-20(12-14-21)33-23-15-10-18-6-2-4-8-22(18)28(23)29-26(35)17-27(33)36/h2-15H,16-17H2,1H3,(H,29,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366073 (5-[4-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]phenyl]...) Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C27H20N6O3/c34-23-8-4-2-6-18(23)15-24-29-30-31-33(24)20-12-10-19(11-13-20)32-22-14-9-17-5-1-3-7-21(17)27(22)28-25(35)16-26(32)36/h1-14,34H,15-16H2,(H,28,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366069 (US9873683, Example 79) Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C29H25FN4O2/c30-21-5-1-3-19(17-21)7-14-26-31-15-16-33(26)22-9-11-23(12-10-22)34-25-13-8-20-4-2-6-24(20)29(25)32-27(35)18-28(34)36/h1,3,5,8-13,15-17H,2,4,6-7,14,18H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366075 (5-[4-(5-Phenethyl-1H-tetrazol-1-yl)phenyl]-1H-naph...) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C28H22N6O2/c35-26-18-27(36)33(24-16-11-20-8-4-5-9-23(20)28(24)29-26)21-12-14-22(15-13-21)34-25(30-31-32-34)17-10-19-6-2-1-3-7-19/h1-9,11-16H,10,17-18H2,(H,29,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50391931 (CHEMBL2147632) Show SMILES CC(C)(C)c1cc(c2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(I)c(=O)[nH]c3=O)OCc2c1F)C(C)(C)C |r| Show InChI InChI=1S/C24H31FIN2O8P/c1-23(2,3)13-7-14(24(4,5)6)20-12(19(13)25)10-33-37(32,36-20)34-11-17-16(29)8-18(35-17)28-9-15(26)21(30)27-22(28)31/h7,9,16-18,29H,8,10-11H2,1-6H3,(H,27,30,31)/t16-,17+,18+,37?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human BChE after 30 mins by microplate reader method				J Med Chem 55: 2649-71 (2012) Article DOI: 10.1021/jm201482p BindingDB Entry DOI: 10.7270/Q2T43V55
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50391931 (CHEMBL2147632) Show SMILES CC(C)(C)c1cc(c2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(I)c(=O)[nH]c3=O)OCc2c1F)C(C)(C)C |r| Show InChI InChI=1S/C24H31FIN2O8P/c1-23(2,3)13-7-14(24(4,5)6)20-12(19(13)25)10-33-37(32,36-20)34-11-17-16(29)8-18(35-17)28-9-15(26)21(30)27-22(28)31/h7,9,16-18,29H,8,10-11H2,1-6H3,(H,27,30,31)/t16-,17+,18+,37?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human BChE after 30 mins by microplate reader method				J Med Chem 55: 2649-71 (2012) Article DOI: 10.1021/jm201482p BindingDB Entry DOI: 10.7270/Q2T43V55
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM365870 (US9873683, Example 31) Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366062 (US9873683, Example 67) Show SMILES Fc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3CCCc3c2NC(=O)CC1=O Show InChI InChI=1S/C29H25FN4O2/c30-24-7-2-1-4-20(24)9-15-26-31-16-17-33(26)21-10-12-22(13-11-21)34-25-14-8-19-5-3-6-23(19)29(25)32-27(35)18-28(34)36/h1-2,4,7-8,10-14,16-17H,3,5-6,9,15,18H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366049 (US9873683, Example 43) Show SMILES Oc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-1-2-7-25(21)30(26)32-28(36)19-29(34)37/h1-7,9-14,16-18,35H,8,15,19H2,(H,32,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50391933 (CHEMBL2147631) Show SMILES Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(I)c(=O)[nH]c3=O)Oc12 |r| Show InChI InChI=1S/C17H18IN2O8P/c1-9-3-2-4-10-7-25-29(24,28-15(9)10)26-8-13-12(21)5-14(27-13)20-6-11(18)16(22)19-17(20)23/h2-4,6,12-14,21H,5,7-8H2,1H3,(H,19,22,23)/t12-,13+,14+,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human BChE after 30 mins by microplate reader method				J Med Chem 55: 2649-71 (2012) Article DOI: 10.1021/jm201482p BindingDB Entry DOI: 10.7270/Q2T43V55
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universita del Piemonte Orientale					Assay Description The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...				J Med Chem 52: 3001-9 (2009) BindingDB Entry DOI: 10.7270/Q2542QX3
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366057 (US9873683, Example 61) Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H28N4O3/c1-37-24-6-2-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-3-7-25(21)30(26)32-28(35)19-29(34)36/h2,4,6,9-14,16-18H,3,5,7-8,15,19H2,1H3,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366078 (5-[6-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]pyridin...) Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cn1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H19N7O3/c34-21-8-4-2-6-17(21)13-23-29-30-31-33(23)22-12-10-18(15-27-22)32-20-11-9-16-5-1-3-7-19(16)26(20)28-24(35)14-25(32)36/h1-12,15,34H,13-14H2,(H,28,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM365827 (US9873683, Example 27) Show SMILES Oc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)14-16-33-17-15-31-30(33)22-8-11-23(12-9-22)34-26-13-10-21-5-1-2-7-25(21)29(26)32-27(36)19-28(34)37/h1-13,15,17-18,35H,14,16,19H2,(H,32,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366077 (5-[4-(2-Phenethyl-1H-imidazol-1-yl)phenyl]-1H-naph...) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C30H24N4O2/c35-28-20-29(36)34(26-16-11-22-8-4-5-9-25(22)30(26)32-28)24-14-12-23(13-15-24)33-19-18-31-27(33)17-10-21-6-2-1-3-7-21/h1-9,11-16,18-19H,10,17,20H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM365950 (US9873683, Example 37) Show SMILES Cc1cccc(C)c1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C32H28N4O2/c1-21-6-5-7-22(2)26(21)15-17-29-33-18-19-35(29)24-11-13-25(14-12-24)36-28-16-10-23-8-3-4-9-27(23)32(28)34-30(37)20-31(36)38/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,34,37)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM365816 (US9873683, Example 25) Show SMILES COc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C31H26N4O3/c1-38-25-7-4-5-21(19-25)15-17-34-18-16-32-31(34)23-9-12-24(13-10-23)35-27-14-11-22-6-2-3-8-26(22)30(27)33-28(36)20-29(35)37/h2-14,16,18-19H,15,17,20H2,1H3,(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366071 (US9873683, Example 83) Show SMILES COc1c(F)cccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C31H25FN4O3/c1-39-31-21(6-4-8-25(31)32)10-16-27-33-17-18-35(27)22-11-13-23(14-12-22)36-26-15-9-20-5-2-3-7-24(20)30(26)34-28(37)19-29(36)38/h2-9,11-15,17-18H,10,16,19H2,1H3,(H,34,37)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366058 (US9873683, Example 62) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccsc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C28H22N4O2S/c33-26-17-27(34)32(24-11-6-20-3-1-2-4-23(20)28(24)30-26)22-9-7-21(8-10-22)31-15-14-29-25(31)12-5-19-13-16-35-18-19/h1-4,6-11,13-16,18H,5,12,17H2,(H,30,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM365756 (US9873683, Example 22) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-c2nccn2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C30H24N4O2/c35-27-20-28(36)34(26-15-12-22-8-4-5-9-25(22)29(26)32-27)24-13-10-23(11-14-24)30-31-17-19-33(30)18-16-21-6-2-1-3-7-21/h1-15,17,19H,16,18,20H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair

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