Compile Data Set for Download or QSAR

Found 2010 hits with Last Name = 'costa' and Initial = 'r'   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Metallothionein-2 (Human)	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000066 ((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...) Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000068 (CHEMBL142700 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...) Show SMILES CN(CCN1CCCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H24Cl2N2/c1-19(11-12-20-8-3-2-4-9-20)10-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001054 (4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](I)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24INO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001053 (14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24BrNO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000069 (CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...) Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000078 ((3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-et...) Show SMILES CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H20Cl2N2/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-13(15)14(16)10-12/h4-5,10H,2-3,6-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001054 (4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](I)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24INO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50007314 (CHEMBL104834 | [2-(3,4-Dichloro-phenyl)-ethyl]-(2-...) Show SMILES Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl Show InChI InChI=1S/C18H26Cl2N2/c19-15-8-7-14(13-16(15)20)9-10-21-17-5-1-2-6-18(17)22-11-3-4-12-22/h7-8,13,17-18,21H,1-6,9-12H2/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain				J Med Chem 34: 3058-65 (1991) BindingDB Entry DOI: 10.7270/Q2VX0FGB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000065 (CHEMBL141501 | [2-(3,4-Dichloro-phenyl)-ethyl]-eth...) Show SMILES CCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H24Cl2N2/c1-2-19(11-12-20-8-3-4-9-20)10-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50044714 (1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazi...) Show SMILES CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C16H24Cl2N2/c1-2-3-7-19-9-11-20(12-10-19)8-6-14-4-5-15(17)16(18)13-14/h4-5,13H,2-3,6-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined				J Med Chem 36: 2311-20 (1993) BindingDB Entry DOI: 10.7270/Q2RF5VNP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000067 (CHEMBL347514 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...) Show SMILES C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50428089 (CHEMBL2323577) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis				J Med Chem 56: 3419-23 (2013) Article DOI: 10.1021/jm301456c BindingDB Entry DOI: 10.7270/Q2X63P9H
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM84905 (THC-DMH, (-)-11-OH) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3C=C(CO)CC[C@@H]3C(C)(C)Oc2c1 |t:15| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 218-26 (1993) BindingDB Entry DOI: 10.7270/Q2HH6HM0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000070 (CHEMBL143178 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...) Show SMILES CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H24Cl2N2/c1-4-19(5-2)11-10-18(3)9-8-13-6-7-14(16)15(17)12-13/h6-7,12H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Metallothionein-2 (Human)	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001054 (4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](I)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24INO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes...				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000080 (CHEMBL422834 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...) Show SMILES C[C@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000074 (CHEMBL142596 | [2-(3-Chloro-phenyl)-ethyl]-methyl-...) Show SMILES CN(CCN1CCCC1)CCc1cccc(Cl)c1 Show InChI InChI=1S/C15H23ClN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000780 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...) 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-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Digestive Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards kappa opioid receptor using [3H](-)-U-69,593 in guinea pig ileum				J Med Chem 32: 1996-2002 (1989) BindingDB Entry DOI: 10.7270/Q2ZG6STP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 218-26 (1993) BindingDB Entry DOI: 10.7270/Q2HH6HM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallothionein-2 (Human)	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50044713 (2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrido...) Show SMILES Clc1ccc(CCN2CCN3CCCCC3C2)cc1Cl Show InChI InChI=1S/C16H22Cl2N2/c17-15-5-4-13(11-16(15)18)6-8-19-9-10-20-7-2-1-3-14(20)12-19/h4-5,11,14H,1-3,6-10,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined				J Med Chem 36: 2311-20 (1993) BindingDB Entry DOI: 10.7270/Q2RF5VNP
					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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay				ACS Med Chem Lett 5: 1032-6 (2014) Article DOI: 10.1021/ml500241n BindingDB Entry DOI: 10.7270/Q23T9JS5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM84888 (CAS_107822 | CAS_71048-87-8 | Levonantradol | NSC_...) Show SMILES CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1 Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 218-26 (1993) BindingDB Entry DOI: 10.7270/Q2HH6HM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463443 (US10781182, Compound IA2-120 | US11091445, Compoun...) Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50428089 (CHEMBL2323577) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis				J Med Chem 56: 3419-23 (2013) Article DOI: 10.1021/jm301456c BindingDB Entry DOI: 10.7270/Q2X63P9H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000079 (CHEMBL142755 | [2-(3,4-Dichloro-phenyl)-ethyl]-(2-...) Show SMILES Clc1ccc(CCNCCN2CCCC2)cc1Cl Show InChI InChI=1S/C14H20Cl2N2/c15-13-4-3-12(11-14(13)16)5-6-17-7-10-18-8-1-2-9-18/h3-4,11,17H,1-2,5-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463443 (US10781182, Compound IA2-120 | US11091445, Compoun...) Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50007316 ((3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-cy...) Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C18H26Cl2N2/c1-21(13-14-8-9-15(19)16(20)12-14)17-6-2-3-7-18(17)22-10-4-5-11-22/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against Sigma opioid receptor by using [3H]-(+)-3-PPP as radioligand in guinea pig brain				J Med Chem 34: 3058-65 (1991) BindingDB Entry DOI: 10.7270/Q2VX0FGB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000776 (1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-propyl-piperaz...) Show SMILES CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined				J Med Chem 36: 2311-20 (1993) BindingDB Entry DOI: 10.7270/Q2RF5VNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001053 (14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24BrNO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001053 (14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12| Show InChI InChI=1S/C20H24BrNO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15?,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.				J Med Chem 35: 2826-35 (1992) BindingDB Entry DOI: 10.7270/Q2639QB3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000071 (CHEMBL143360 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...) Show SMILES CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50044710 ((6,7-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-...) Show SMILES CN(CCN1CCCC1)C1CCc2cc(Cl)c(Cl)cc2C1 Show InChI InChI=1S/C17H24Cl2N2/c1-20(8-9-21-6-2-3-7-21)15-5-4-13-11-16(18)17(19)12-14(13)10-15/h11-12,15H,2-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined				J Med Chem 36: 2311-20 (1993) BindingDB Entry DOI: 10.7270/Q2RF5VNP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50003743 ((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...) Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain				J Med Chem 34: 3058-65 (1991) BindingDB Entry DOI: 10.7270/Q2VX0FGB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50003743 ((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...) Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1 Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP				J Med Chem 33: 3100-10 (1990) BindingDB Entry DOI: 10.7270/Q2348KZJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50003753 (6,7-Dichloro-2-(2-pyrrolidin-1-yl-ethyl)-1,2,3,4-t...) Show SMILES Clc1cc2CCN(CCN3CCCC3)Cc2cc1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-9-12-3-6-19(11-13(12)10-15(14)17)8-7-18-4-1-2-5-18/h9-10H,1-8,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates				J Med Chem 35: 4334-43 (1992) BindingDB Entry DOI: 10.7270/Q2PN94MH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000076 (CHEMBL141945 | [2-(3,4-Dichloro-phenyl)-ethyl]-pro...) Show SMILES CCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H26Cl2N2/c1-2-8-20(12-13-21-9-3-4-10-21)11-7-15-5-6-16(18)17(19)14-15/h5-6,14H,2-4,7-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000073 (Allyl-[2-(3,4-dichloro-phenyl)-ethyl]-(2-pyrrolidi...) Show SMILES Clc1ccc(CCN(CCN2CCCC2)CC=C)cc1Cl Show InChI InChI=1S/C17H24Cl2N2/c1-2-8-20(12-13-21-9-3-4-10-21)11-7-15-5-6-16(18)17(19)14-15/h2,5-6,14H,1,3-4,7-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes				J Med Chem 35: 38-47 (1992) BindingDB Entry DOI: 10.7270/Q2BP01RW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50044726 (2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrol...) Show SMILES Clc1ccc(CCN2CCN3CCC[C@@H]3C2)cc1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-4-3-12(10-15(14)17)5-7-18-8-9-19-6-1-2-13(19)11-18/h3-4,10,13H,1-2,5-9,11H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined				J Med Chem 36: 2311-20 (1993) BindingDB Entry DOI: 10.7270/Q2RF5VNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21014 ((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis				J Med Chem 56: 3419-23 (2013) Article DOI: 10.1021/jm301456c BindingDB Entry DOI: 10.7270/Q2X63P9H
					More data for this Ligand-Target Pair

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