Compile Data Set for Download or QSAR

Found 575 hits with Last Name = 'rong' and Initial = 's'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111036 (Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...) Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					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
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
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))	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))	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))	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))	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
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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Protein kinase C delta type (Mus musculus)	BDBM50057514 ((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...) Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23 Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]- PDBu from Protein kinase C delta C1b domain				J Med Chem 45: 853-60 (2002) BindingDB Entry DOI: 10.7270/Q20C4V25
					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))	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
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
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
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
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
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))	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))	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))	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
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
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
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))	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
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
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
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
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
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))	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
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
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
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
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetotwn University Curated by ChEMBL					Assay Description Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon				Bioorg Med Chem Lett 11: 955-9 (2001) BindingDB Entry DOI: 10.7270/Q2D799PV
					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
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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529513 (CHEMBL3959336) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCc1ccccc1)C(=O)CO |r| Show InChI InChI=1S/C26H33N3O3/c27-26(32)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)29(23)14-13-28(25(31)18-30)12-11-19-5-2-1-3-6-19/h1-8,15,22-24,30H,9-14,16-18H2,(H2,27,32)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	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))	BDBM50529502 (CHEMBL3990727) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC1)C(=O)CO |r| Show InChI InChI=1S/C23H33N3O3/c24-23(29)18-6-2-5-17(11-18)19-12-20-7-8-21(13-19)26(20)10-9-25(22(28)15-27)14-16-3-1-4-16/h2,5-6,11,16,19-21,27H,1,3-4,7-10,12-15H2,(H2,24,29)/t19-,20+,21-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	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))	BDBM50529511 (CHEMBL4519976) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C27H43N3O3/c1-3-20(4-2)18-29(26(32)19-31)13-6-5-7-14-30-24-11-12-25(30)17-23(16-24)21-9-8-10-22(15-21)27(28)33/h8-10,15,20,23-25,31H,3-7,11-14,16-19H2,1-2H3,(H2,28,33)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	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))	BDBM50529524 (CHEMBL4541806) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C26H41N3O3/c1-3-19(4-2)17-28(25(31)18-30)12-5-6-13-29-23-10-11-24(29)16-22(15-23)20-8-7-9-21(14-20)26(27)32/h7-9,14,19,22-24,30H,3-6,10-13,15-18H2,1-2H3,(H2,27,32)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	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 4 (Homo sapiens (Human))	BDBM50388692 (CHEMBL2059582) Show SMILES COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23-,24+,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	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))	BDBM50529512 (CHEMBL4569252) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CCCCCC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C24H37N3O3/c1-2-3-4-5-11-26(23(29)17-28)12-13-27-21-9-10-22(27)16-20(15-21)18-7-6-8-19(14-18)24(25)30/h6-8,14,20-22,28H,2-5,9-13,15-17H2,1H3,(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	0.794	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	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

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