Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'kanda' and Initial = 't'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254132 (CHEMBL4083940) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254133 (CHEMBL4076632) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254133 (CHEMBL4076632) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254131 (CHEMBL4094845) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254132 (CHEMBL4083940) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.362	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254123 (CHEMBL4068691) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.458	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254131 (CHEMBL4094845) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254120 (CHEMBL4076681) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179992 (US9676720, Example 2) Show SMILES C\C=C\c1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C29H28N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h2-18H,19-21H2,1H3,(H,31,32)(H,34,35)/b7-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254133 (CHEMBL4076632) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254123 (CHEMBL4068691) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.564	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254132 (CHEMBL4083940) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.578	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254130 (CHEMBL4061334) Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179995 (US9676720, Example 7) Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C28H28N4O5S/c1-2-37-25-9-5-7-23(17-25)22-14-12-21(13-15-22)19-32(38(35,36)27-11-3-4-16-29-27)20-24-8-6-10-26(31-24)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290167 (1,3-Diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-pheny...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)12-10-15-9-11-16(28-6)14(4)13(15)3/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290165 (8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-1,...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254123 (CHEMBL4068691) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.726	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179994 (US9676720, Example 6) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1 Show InChI InChI=1S/C29H26N4O4S/c1-2-6-22-7-3-8-25(17-22)24-14-12-23(13-15-24)20-33(38(36,37)27-10-5-16-30-18-27)21-26-9-4-11-28(32-26)31-19-29(34)35/h3-5,7-18H,19-21H2,1H3,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180045 (US9676720, Comparative example 16) Show SMILES CC#Cc1ccccc1-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C29H26N4O4S/c1-2-8-23-9-3-4-11-26(23)24-16-14-22(15-17-24)20-33(38(36,37)28-13-5-6-18-30-28)21-25-10-7-12-27(32-25)31-19-29(34)35/h3-7,9-18H,19-21H2,1H3,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.75	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254122 (CHEMBL4098662) Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.781	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179998 (US9676720, Example 11) Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccs2)cc1 Show InChI InChI=1S/C27H27N3O5S2/c1-2-35-24-8-3-6-22(16-24)21-13-11-20(12-14-21)18-30(37(33,34)27-10-5-15-36-27)19-23-7-4-9-25(29-23)28-17-26(31)32/h3-16H,2,17-19H2,1H3,(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.790	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179993 (US9676720, Example 4) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C29H26N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h3-6,8-18H,19-21H2,1H3,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179996 (US9676720, Example 9) Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccnc2)cc1 Show InChI InChI=1S/C28H28N4O5S/c1-2-37-25-8-3-6-23(16-25)22-13-11-21(12-14-22)19-32(38(35,36)26-9-5-15-29-17-26)20-24-7-4-10-27(31-24)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254131 (CHEMBL4094845) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254120 (CHEMBL4076681) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254120 (CHEMBL4076681) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180000 (US9676720, Example 14) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccs2)cc1 Show InChI InChI=1S/C28H25N3O4S2/c1-2-6-21-7-3-8-24(17-21)23-14-12-22(13-15-23)19-31(37(34,35)28-11-5-16-36-28)20-25-9-4-10-26(30-25)29-18-27(32)33/h3-5,7-17H,18-20H2,1H3,(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179999 (US9676720, Example 12) Show SMILES CCOc1cccc(n1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C27H27N5O5S/c1-2-37-25-10-6-8-23(31-25)21-14-12-20(13-15-21)18-32(38(35,36)26-11-3-4-16-28-26)19-22-7-5-9-24(30-22)29-17-27(33)34/h3-16H,2,17-19H2,1H3,(H,29,30)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180002 (US9676720, Example 16) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H27N3O4S/c1-2-8-23-9-6-10-26(19-23)25-17-15-24(16-18-25)21-33(38(36,37)28-12-4-3-5-13-28)22-27-11-7-14-29(32-27)31-20-30(34)35/h3-7,9-19H,20-22H2,1H3,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.950	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254121 (CHEMBL4067629) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.953	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM179997 (US9676720, Example 10) Show SMILES CCOc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C29H29N3O5S/c1-2-37-26-10-6-8-24(18-26)23-16-14-22(15-17-23)20-32(38(35,36)27-11-4-3-5-12-27)21-25-9-7-13-28(31-25)30-19-29(33)34/h3-18H,2,19-21H2,1H3,(H,30,31)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180003 (US9676720, Example 18) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccsc2)cc1 Show InChI InChI=1S/C28H25N3O4S2/c1-2-5-21-6-3-7-24(16-21)23-12-10-22(11-13-23)18-31(37(34,35)26-14-15-36-20-26)19-25-8-4-9-27(30-25)29-17-28(32)33/h3-4,6-16,20H,17-19H2,1H3,(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006710 (8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180020 (US9676720, Comparative example 8) Show SMILES CCCc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C29H30N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h3-6,8-18H,2,7,19-21H2,1H3,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180024 (US9676720, Comparative example 11) Show SMILES COc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C27H26N4O5S/c1-36-24-8-4-6-22(16-24)21-13-11-20(12-14-21)18-31(37(34,35)26-10-2-3-15-28-26)19-23-7-5-9-25(30-23)29-17-27(32)33/h2-16H,17-19H2,1H3,(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254121 (CHEMBL4067629) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180019 (US9676720, Comparative example 7) Show SMILES CCc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C28H28N4O4S/c1-2-21-7-5-8-24(17-21)23-14-12-22(13-15-23)19-32(37(35,36)27-11-3-4-16-29-27)20-25-9-6-10-26(31-25)30-18-28(33)34/h3-17H,2,18-20H2,1H3,(H,30,31)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180004 (US9676720, Example 19) Show SMILES CC#Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C30H26FN3O4S/c1-2-6-22-7-3-8-25(17-22)24-15-13-23(14-16-24)20-34(39(37,38)28-11-4-9-26(31)18-28)21-27-10-5-12-29(33-27)32-19-30(35)36/h3-5,7-18H,19-21H2,1H3,(H,32,33)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180021 (US9676720, Comparative example 9) Show SMILES CC\C=C\c1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C30H30N4O4S/c1-2-3-8-23-9-6-10-26(19-23)25-16-14-24(15-17-25)21-34(39(37,38)29-13-4-5-18-31-29)22-27-11-7-12-28(33-27)32-20-30(35)36/h3-19H,2,20-22H2,1H3,(H,32,33)(H,35,36)/b8-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180005 (US9676720, Comparative example 1) Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccn2)n1 Show InChI InChI=1S/C26H24N4O4S/c31-26(32)17-28-24-10-6-9-23(29-24)19-30(35(33,34)25-11-4-5-16-27-25)18-20-12-14-22(15-13-20)21-7-2-1-3-8-21/h1-16H,17-19H2,(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254122 (CHEMBL4098662) Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290165 (8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-1,...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O4/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(4)16(22-19)12-10-14-9-11-15(28-5)13(3)18(14)29-6/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50006714 (7-Methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180022 (US9676720, Comparative example 10) Show SMILES OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-c2cccc(CC=C)c2)S(=O)(=O)c2ccccn2)n1 Show InChI InChI=1S/C29H28N4O4S/c1-2-7-22-8-5-9-25(18-22)24-15-13-23(14-16-24)20-33(38(36,37)28-12-3-4-17-30-28)21-26-10-6-11-27(32-26)31-19-29(34)35/h2-6,8-18H,1,7,19-21H2,(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180025 (US9676720, Comparative example 12) Show SMILES CCCOc1cccc(n1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C28H29N5O5S/c1-2-17-38-26-10-6-8-24(32-26)22-14-12-21(13-15-22)19-33(39(36,37)27-11-3-4-16-29-27)20-23-7-5-9-25(31-23)30-18-28(34)35/h3-16H,2,17-20H2,1H3,(H,30,31)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50290167 (1,3-Diethyl-8-[(E)-2-(4-methoxy-2,3-dimethyl-pheny...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)12-10-15-9-11-16(28-6)14(4)13(15)3/h9-12H,7-8H2,1-6H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM180018 (US9676720, Comparative example 6) Show SMILES Cc1cccc(c1)-c1ccc(CN(Cc2cccc(NCC(O)=O)n2)S(=O)(=O)c2ccccn2)cc1 Show InChI InChI=1S/C27H26N4O4S/c1-20-6-4-7-23(16-20)22-13-11-21(12-14-22)18-31(36(34,35)26-10-2-3-15-28-26)19-24-8-5-9-25(30-24)29-17-27(32)33/h2-16H,17-19H2,1H3,(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
UBE INDUSTRIES, LTD. US Patent					Assay Description Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285...				US Patent US9676720 (2017) BindingDB Entry DOI: 10.7270/Q2057D39
					More data for this Ligand-Target Pair

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