Compile Data Set for Download or QSAR

Found 2841 hits with Last Name = 'schepmann' and Initial = 'd'   

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 (Cavia porcellus (Guinea pig))	BDBM50145021 (1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...) Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12 Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361993 (CHEMBL1939700) Show SMILES FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236864 (CHEMBL4096473) Show SMILES [H][C@]12CCC[C@H](N(C)C)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-23(2)16-5-4-6-17-19(16)25(10-9-24(17)20(27)28-3)18(26)12-13-7-8-14(21)15(22)11-13/h7-8,11,16-17,19H,4-6,9-10,12H2,1-3H3/t16-,17-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259004 (1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...) Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396885 (CHEMBL2170669) Show SMILES COC1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/c1-21-18-11-16-13-23-14-17(16)19(22-18)7-9-20(10-8-19)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260587 (CHEMBL4062642) Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000287 (2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114079 BindingDB Entry DOI: 10.7270/Q2XK8KNF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130757 (CHEMBL3634516) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396850 (CHEMBL2170496) Show SMILES COC1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C26H26N2O2S/c1-29-24-15-22-23(18-31-25(22)21-9-7-19(16-27)8-10-21)26(30-24)11-13-28(14-12-26)17-20-5-3-2-4-6-20/h2-10,18,24H,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130757 (CHEMBL3634516) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236870 (CHEMBL4064380) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O4/c1-34-22(33)29-9-10-30(20(32)12-14-5-6-16(17(24)11-14)23(25,26)27)21-18(3-2-4-19(21)29)28-8-7-15(31)13-28/h5-6,11,15,18-19,21,31H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252721 (1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...) Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252721 (1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...) Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50593830 (CHEMBL5204491) Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:16| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114359 BindingDB Entry DOI: 10.7270/Q25M69QS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236878 (CHEMBL4084350) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H29Cl2N3O3S/c1-30(28,29)26-12-11-25(20(27)14-15-7-8-16(22)17(23)13-15)21-18(5-4-6-19(21)26)24-9-2-3-10-24/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50316622 ((S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)...) Show SMILES COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes				Bioorg Med Chem 22: 4277-84 (2014) Article DOI: 10.1016/j.bmc.2014.05.033 BindingDB Entry DOI: 10.7270/Q29C702R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50316621 ((R)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((R)...) Show SMILES COC(=O)N1CCN([C@H](C1)[C@@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					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	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50316622 ((S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)...) Show SMILES COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50316622 ((S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)...) Show SMILES COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-14(23-7-3-4-8-23)18-13-24(20(27)28-2)9-10-25(18)19(26)12-15-5-6-16(21)17(22)11-15/h5-6,11,14,18H,3-4,7-10,12-13H2,1-2H3/t14-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252946 (1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,18H,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252946 (1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,18H,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes				Bioorg Med Chem 22: 4277-84 (2014) Article DOI: 10.1016/j.bmc.2014.05.033 BindingDB Entry DOI: 10.7270/Q29C702R
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	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	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114079 BindingDB Entry DOI: 10.7270/Q2XK8KNF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					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	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane				Bioorg Med Chem 22: 3316-24 (2014) Article DOI: 10.1016/j.bmc.2014.04.054 BindingDB Entry DOI: 10.7270/Q2DR2X2R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236871 (CHEMBL4069231) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396883 (CHEMBL2170667) Show SMILES C(N1CCC2(CC1)OCCc1cscc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)12-19-9-7-18(8-10-19)17-14-21-13-16(17)6-11-20-18/h1-5,13-14H,6-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130756 (CHEMBL3634515) Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130756 (CHEMBL3634515) Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027433 (CHEMBL603370 | GR-89696) Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50027433 (CHEMBL603370 | GR-89696) Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [(3)H]U69593 from mu opioid receptor				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260585 (CHEMBL4063826) Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r| Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50260591 (CHEMBL4084334) Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting				Bioorg Med Chem 25: 4778-4799 (2017) Article DOI: 10.1016/j.bmc.2017.07.027 BindingDB Entry DOI: 10.7270/Q26M3984
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting metho...				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321782 (1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236886 (CHEMBL4099849) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H33Cl2N3O3/c1-2-32-23(31)16-28-12-13-29(22(30)15-17-8-9-18(25)19(26)14-17)24-20(6-5-7-21(24)28)27-10-3-4-11-27/h8-9,14,20-21,24H,2-7,10-13,15-16H2,1H3/t20-,21-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236865 (CHEMBL4095192) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50346474 ((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...) Show SMILES COC(=O)N1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50593835 (CHEMBL5175714) Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114113 BindingDB Entry DOI: 10.7270/Q21C21ZF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2841 total )  |  Next  |  Last  >>

Jump to: