Compile Data Set for Download or QSAR

Found 1245 hits with Last Name = 'marra' and Initial = 'a'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50398057 (CHEMBL2181924) Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		0.00250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50083926 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50007102 (6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50251208 (CHEMBL4088272) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6| Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	CHEMBL5272139 Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50083926 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50007102 (6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50018731 ((Cyclazocine) 3-Cyclopropylmethyl-6,11-dimethyl-1,...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 |TLB:16:15:1:3.4.10| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001019 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocin from sigma1 receptor in guinea pig brain P2 membranes after 120 mins				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50405519 (CHEMBL5278314) Show SMILES CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1 Show InChI InChI=1S/C21H35NO4S/c1-17(2)22-14-20(23)15-26-21-10-8-18(9-11-21)12-13-27(24,25)16-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50458137 (CHEMBL4210742) Show SMILES COc1ccc(Nc2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:10.24.11,25:24:13:17.18.19| Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Macaca mulatta)	BDBM50001031 (3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in monkey brain cortex membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018731 ((Cyclazocine) 3-Cyclopropylmethyl-6,11-dimethyl-1,...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 |TLB:16:15:1:3.4.10| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vivo inhibitory activity against Angiotensin I converting enzyme was evaluated in renal hypertensive rats				Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Macaca mulatta)	BDBM50458147 (CHEMBL4204891) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCC#N)[C@H]2C |r,THB:8:9:19:12.13.14,15:14:19:3.9.2| Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16+,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in monkey brain cortex membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Macaca mulatta)	BDBM50458145 (CHEMBL4207341) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCCC#N)[C@H]2C |r,THB:8:9:20:12.13.14,15:14:20:3.9.2| Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13-,17+,18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in monkey brain cortex membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50101160 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	CHEMBL5274252 Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50458137 (CHEMBL4210742) Show SMILES COc1ccc(Nc2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:10.24.11,25:24:13:17.18.19| Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50458143 (CHEMBL4215981) Show SMILES [H][C@]12Cc3ccc(NC=O)cc3[C@](C)(CCN1CC1CC1)[C@H]2C |r,THB:10:11:21:14.15.16,17:16:21:3.11.2| Show InChI InChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)/t13-,18+,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50458144 (CHEMBL4211113) Show SMILES [H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C |r,THB:11:12:23:15.16.17,18:17:23:3.12.2| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR (unknown origin) expressed in CHO cell membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50458152 (CHEMBL4207167) Show SMILES CC1C2Cc3ccc(Nc4cccnc4)cc3C1(C)CCN2CC1CC1 |TLB:22:21:1:4.16.3,15:16:1:19.20.21| Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50101160 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085020 (((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...) Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19| Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Cavia porcellus)	BDBM50083926 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes after 3 hrs by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity to KOR (unknown origin)				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50405520 (CHEMBL1822601) Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1 Show InChI InChI=1S/C21H35NO3/c1-17(2)22-14-20(23)16-25-21-10-8-18(9-11-21)12-13-24-15-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50458152 (CHEMBL4207167) Show SMILES CC1C2Cc3ccc(Nc4cccnc4)cc3C1(C)CCN2CC1CC1 |TLB:22:21:1:4.16.3,15:16:1:19.20.21| Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	CHEMBL3040082 Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL UniChem		0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against porcine plasma Angiotensin I converting enzyme				Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206591 (CHEMBL375499 | methyl (1R,2S/1S,2R)-2-[(4-benzylpi...) Show SMILES COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H28N2O4/c1-30-23(27)24(20-7-9-22(10-8-20)26(28)29)16-21(24)17-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,19,21H,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50254563 (3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3| Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50357430 (CHEMBL1917711) Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-12,21H,13-18H2,1H3/b19-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pavia Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis				Eur J Med Chem 124: 649-665 (2016) Article DOI: 10.1016/j.ejmech.2016.08.067 BindingDB Entry DOI: 10.7270/Q2MS3VSX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50524440 (CHEMBL4441396) Show SMILES Clc1ccc2sc(=O)n(CCCCN3CCCCCC3)c2c1 Show InChI InChI=1S/C17H23ClN2OS/c18-14-7-8-16-15(13-14)20(17(21)22-16)12-6-5-11-19-9-3-1-2-4-10-19/h7-8,13H,1-6,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 174: 226-235 (2019) Article DOI: 10.1016/j.ejmech.2019.04.056 BindingDB Entry DOI: 10.7270/Q2BC42ZD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045114 (3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...) Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity to MOR (unknown origin)				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206586 (CHEMBL225516 | methyl (1R,2S/1S,2R)-2-[(4-benzylpi...) Show SMILES COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H28ClNO2/c1-28-23(27)24(20-7-9-22(25)10-8-20)16-21(24)17-26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,19,21H,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50458141 (CHEMBL4204304) Show SMILES CC1C2Cc3ccc(NC=O)cc3C1(C)CCN2CC1CC1 |TLB:11:12:1:15.16.17,18:17:1:4.12.3| Show InChI InChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50405518 (CHEMBL5291247) Show SMILES CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1 Show InChI InChI=1S/C20H33NO3/c1-16(2)21-13-19(22)15-24-20-10-8-17(9-11-20)7-4-12-23-14-18-5-3-6-18/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				Citation and Details
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Mu-type opioid receptor (Macaca mulatta)	BDBM50001031 (3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in monkey brain cortex membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
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Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50405523 (CHEMBL5278355) Show SMILES CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1 Show InChI InChI=1S/C26H37NO3/c1-21(10-11-22-6-3-2-4-7-22)27-18-25(28)20-30-26-14-12-23(13-15-26)16-17-29-19-24-8-5-9-24/h2-4,6-7,12-15,21,24-25,27-28H,5,8-11,16-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human trypsin and the control activity being 7.3 umol/min/mg				Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	CHEMBL5282359 Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL UniChem		0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	CHEMBL5268414 Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL UniChem		0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206593 (CHEMBL374686 | methyl (1R,2S/1S,2R)-2-[(4-benzylpi...) Show SMILES COC(=O)C1(CC1CN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1 Show InChI InChI=1S/C25H31NO2/c1-19-8-10-22(11-9-19)25(24(27)28-2)17-23(25)18-26-14-12-21(13-15-26)16-20-6-4-3-5-7-20/h3-11,21,23H,12-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
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