Compile Data Set for Download or QSAR

Found 14870 hits with Last Name = 'campbell' and Initial = 'b'   

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 (Homo sapiens (Human))	BDBM50319772 ((2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6...) Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r| Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50319776 ((2,2'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimeth...) Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r| Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529509 (CHEMBL4467513) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529522 (CHEMBL4471516) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529522 (CHEMBL4471516) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529505 (CHEMBL3954068) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r| Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529514 (CHEMBL3906031) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO |r| Show InChI InChI=1S/C25H31N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h1-8,13,21-23,29H,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045758 (3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...) Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529518 (CHEMBL4463675) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50319799 ((4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-...) Show SMILES COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r| Show InChI InChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529496 (CHEMBL4468796) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529499 (Axelopran sulfate | TD-1211 Sulfate) Show SMILES OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |r,TLB:14:12:23:7.8| Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529508 (CHEMBL4567073) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(C)(C)C |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529520 (CHEMBL4520212) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)OC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529509 (CHEMBL4467513) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529519 (CHEMBL3910689) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO |r| Show InChI InChI=1S/C25H35F2N3O3/c26-25(27)8-6-17(7-9-25)15-29(23(32)16-31)10-11-30-21-4-5-22(30)14-20(13-21)18-2-1-3-19(12-18)24(28)33/h1-3,12,17,20-22,31H,4-11,13-16H2,(H2,28,33)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM79215 (CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor beta				J Med Chem 37: 2253-7 (1994) Article DOI: 10.1021/jm00041a001 BindingDB Entry DOI: 10.7270/Q29889QB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529505 (CHEMBL3954068) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r| Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529507 (CHEMBL3971059) Show SMILES CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529499 (Axelopran sulfate | TD-1211 Sulfate) Show SMILES OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |r,TLB:14:12:23:7.8| Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529510 (CHEMBL4474822) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCNCC1CCCCC1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C23H35N3O/c24-23(27)19-8-4-7-18(13-19)20-14-21-9-10-22(15-20)26(21)12-11-25-16-17-5-2-1-3-6-17/h4,7-8,13,17,20-22,25H,1-3,5-6,9-12,14-16H2,(H2,24,27)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529508 (CHEMBL4567073) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)C(C)(C)C |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529496 (CHEMBL4468796) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529520 (CHEMBL4520212) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)OC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529514 (CHEMBL3906031) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO |r| Show InChI InChI=1S/C25H31N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h1-8,13,21-23,29H,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529516 (CHEMBL3990868) Show SMILES CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C25H40N4O3S/c1-27(2)33(31,32)28(18-19-7-4-3-5-8-19)13-14-29-23-11-12-24(29)17-22(16-23)20-9-6-10-21(15-20)25(26)30/h6,9-10,15,19,22-24H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,26,30)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529516 (CHEMBL3990868) Show SMILES CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C25H40N4O3S/c1-27(2)33(31,32)28(18-19-7-4-3-5-8-19)13-14-29-23-11-12-24(29)17-22(16-23)20-9-6-10-21(15-20)25(26)30/h6,9-10,15,19,22-24H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,26,30)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529518 (CHEMBL4463675) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529507 (CHEMBL3971059) Show SMILES CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529519 (CHEMBL3910689) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO |r| Show InChI InChI=1S/C25H35F2N3O3/c26-25(27)8-6-17(7-9-25)15-29(23(32)16-31)10-11-30-21-4-5-22(30)14-20(13-21)18-2-1-3-19(12-18)24(28)33/h1-3,12,17,20-22,31H,4-11,13-16H2,(H2,28,33)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529503 (CHEMBL3990213) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO |r| Show InChI InChI=1S/C24H35N3O3/c25-24(30)19-7-3-6-18(12-19)20-13-21-8-9-22(14-20)27(21)11-10-26(23(29)16-28)15-17-4-1-2-5-17/h3,6-7,12,17,20-22,28H,1-2,4-5,8-11,13-16H2,(H2,25,30)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529510 (CHEMBL4474822) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCNCC1CCCCC1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C23H35N3O/c24-23(27)19-8-4-7-18(13-19)20-14-21-9-10-22(15-20)26(21)12-11-25-16-17-5-2-1-3-6-17/h4,7-8,13,17,20-22,25H,1-3,5-6,9-12,14-16H2,(H2,24,27)/t20-,21+,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529506 (CHEMBL4475360) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)S(C)(=O)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50319774 ((3-chloro-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-tr...) Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r| Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529500 (CHEMBL4577852) Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@H]1c1cccc(O)c1 |r| Show InChI InChI=1S/C24H30N2O4/c1-17-15-26(11-10-22(17)19-8-5-9-21(27)13-19)16-20(24(30)25-14-23(28)29)12-18-6-3-2-4-7-18/h2-9,13,17,20,22,27H,10-12,14-16H2,1H3,(H,25,30)(H,28,29)/t17-,20-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529523 (CHEMBL4441036) Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(O)=O)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529503 (CHEMBL3990213) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO |r| Show InChI InChI=1S/C24H35N3O3/c25-24(30)19-7-3-6-18(12-19)20-13-21-8-9-22(14-20)27(21)11-10-26(23(29)16-28)15-17-4-1-2-5-17/h3,6-7,12,17,20-22,28H,1-2,4-5,8-11,13-16H2,(H2,25,30)/t20-,21+,22-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM85095 (CAS_151171 | CONIVAPTAN | NSC_151171 | YM087) Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V2 receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50319788 (CHEMBL1084325 | N-(2'-methoxy-4'-((1S,5R)-1,3,3-tr...) Show SMILES COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r| Show InChI InChI=1S/C26H32N2O3/c1-17(29)27-20-8-6-7-18(11-20)22-10-9-19(12-23(22)31-5)24(30)28-16-26(4)14-21(28)13-25(2,3)15-26/h6-12,21H,13-16H2,1-5H3,(H,27,29)/t21-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529498 (CHEMBL4460387) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)Cc1nnn[nH]1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C26H37N7O2/c27-26(35)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)33(22)12-11-32(17-18-5-2-1-3-6-18)25(34)16-24-28-30-31-29-24/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17H2,(H2,27,35)(H,28,29,30,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM85095 (CAS_151171 | CONIVAPTAN | NSC_151171 | YM087) Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50263671 (2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...) Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay				Bioorg Med Chem Lett 18: 5689-93 (2008) Article DOI: 10.1016/j.bmcl.2008.08.055 BindingDB Entry DOI: 10.7270/Q2N58M5Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529504 (CHEMBL3962054) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCCc1ccccc1)C(=O)CO |r| Show InChI InChI=1S/C27H35N3O3/c28-27(33)22-10-4-9-21(16-22)23-17-24-11-12-25(18-23)30(24)15-14-29(26(32)19-31)13-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,16,23-25,31H,5,8,11-15,17-19H2,(H2,28,33)/t23-,24+,25-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50319780 ((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1S,5R...) Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C |r| Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement [3H]Arg human recombinant Vasopressin V1a receptor				Bioorg Med Chem Lett 20: 3742-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.068 BindingDB Entry DOI: 10.7270/Q24F1QW2
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50263673 (6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...) Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay				Bioorg Med Chem Lett 18: 5689-93 (2008) Article DOI: 10.1016/j.bmcl.2008.08.055 BindingDB Entry DOI: 10.7270/Q2N58M5Z
					More data for this Ligand-Target Pair

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