Compile Data Set for Download or QSAR
Found 95 Enz. Inhib. hit(s) with all data for entry = 50036916
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50027473(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
Affinity DataKi:  0.140nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087016(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
Affinity DataKi:  0.520nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087008(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
Affinity DataKi:  0.700nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087011(8-(5-Methyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Show SMILES Cc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C24H29N3O/c1-18-7-5-11-21-20(18)10-6-12-22(21)26-15-13-24(14-16-26)23(28)25-17-27(24)19-8-3-2-4-9-19/h2-5,7-9,11,22H,6,10,12-17H2,1H3,(H,25,28)
Affinity DataKi:  1.40nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087015(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)
Affinity DataKi:  2.10nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087002(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m1/s1
Affinity DataKi:  2.5nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087022(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
Affinity DataKi:  2.5nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087004(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
Affinity DataKi:  2.60nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087020(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m0/s1
Affinity DataKi:  2.80nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087012(8-(5-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-15-19(9-10-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
Affinity DataKi:  2.90nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087004(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
Affinity DataKi:  3.30nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087003(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c26-23-8-4-5-19-9-10-21(17-22(19)23)27-13-11-25(12-14-27)24(31)28(15-16-30)18-29(25)20-6-2-1-3-7-20/h1-8,21,30H,9-18H2
Affinity DataKi:  3.30nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087008(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
Affinity DataKi:  3.40nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087008(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
Affinity DataKi:  5.30nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50027473(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
Affinity DataKi:  5.5nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087005(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)
Affinity DataKi:  5.60nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087007(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
Affinity DataKi:  5.80nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087020(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m0/s1
Affinity DataKi:  5.90nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087018(3-Allyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphtha...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Show InChI InChI=1S/C26H29Cl2N3O/c1-2-14-30-18-31(19-6-4-3-5-7-19)26(25(30)32)12-15-29(16-13-26)20-8-9-21-22(17-20)24(28)11-10-23(21)27/h2-7,10-11,20H,1,8-9,12-18H2
Affinity DataKi:  5.90nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087016(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
Affinity DataKi:  5.90nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087013(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-2-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)20-8-2-1-3-9-20)12-14-25(15-13-23)21-11-10-18-6-4-5-7-19(18)16-21/h1-9,21H,10-17H2,(H,24,27)
Affinity DataKi:  6.30nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087018(3-Allyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphtha...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Show InChI InChI=1S/C26H29Cl2N3O/c1-2-14-30-18-31(19-6-4-3-5-7-19)26(25(30)32)12-15-29(16-13-26)20-8-9-21-22(17-20)24(28)11-10-23(21)27/h2-7,10-11,20H,1,8-9,12-18H2
Affinity DataKi:  6.80nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087005(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)
Affinity DataKi:  7.20nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087003(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c26-23-8-4-5-19-9-10-21(17-22(19)23)27-13-11-25(12-14-27)24(31)28(15-16-30)18-29(25)20-6-2-1-3-7-20/h1-8,21,30H,9-18H2
Affinity DataKi:  7.20nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087010(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-9-10-19(15-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
Affinity DataKi:  7.30nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087009(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c1-31-18-28-17-29(20-7-3-2-4-8-20)25(24(28)30)12-14-27(15-13-25)21-11-10-19-6-5-9-23(26)22(19)16-21/h2-9,21H,10-18H2,1H3
Affinity DataKi:  7.5nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087019(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m1/s1
Affinity DataKi:  8.40nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087009(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c1-31-18-28-17-29(20-7-3-2-4-8-20)25(24(28)30)12-14-27(15-13-25)21-11-10-19-6-5-9-23(26)22(19)16-21/h2-9,21H,10-18H2,1H3
Affinity DataKi:  8.5nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087012(8-(5-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-15-19(9-10-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
Affinity DataKi:  8.90nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087021(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1
Affinity DataKi:  10nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087007(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
Affinity DataKi:  11nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087015(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)
Affinity DataKi:  11nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087002(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m1/s1
Affinity DataKi:  12nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087015(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)
Affinity DataKi:  13nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087021(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1
Affinity DataKi:  13nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087006(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C31H32ClN3O2/c32-28-13-7-10-23-14-15-26(20-27(23)28)33-18-16-31(17-19-33)30(37)34(21-29(36)24-8-3-1-4-9-24)22-35(31)25-11-5-2-6-12-25/h1-13,26H,14-22H2
Affinity DataKi:  15nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087014(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
Affinity DataKi:  15nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087013(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-2-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)20-8-2-1-3-9-20)12-14-25(15-13-23)21-11-10-18-6-4-5-7-19(18)16-21/h1-9,21H,10-17H2,(H,24,27)
Affinity DataKi:  15nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087007(8-(7-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
Affinity DataKi:  16nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087003(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c26-23-8-4-5-19-9-10-21(17-22(19)23)27-13-11-25(12-14-27)24(31)28(15-16-30)18-29(25)20-6-2-1-3-7-20/h1-8,21,30H,9-18H2
Affinity DataKi:  16nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087004(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
Affinity DataKi:  17nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087010(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-9-10-19(15-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
Affinity DataKi:  17nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087021(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1
Affinity DataKi:  17nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087009(8-(8-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-...)
Show SMILES COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Show InChI InChI=1S/C25H30ClN3O2/c1-31-18-28-17-29(20-7-3-2-4-8-20)25(24(28)30)12-14-27(15-13-25)21-11-10-19-6-5-9-23(26)22(19)16-21/h2-9,21H,10-18H2,1H3
Affinity DataKi:  18nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087014(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
Affinity DataKi:  19nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087012(8-(5-Chloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-...)
Show SMILES Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26ClN3O/c24-21-8-4-5-17-15-19(9-10-20(17)21)26-13-11-23(12-14-26)22(28)25-16-27(23)18-6-2-1-3-7-18/h1-8,19H,9-16H2,(H,25,28)
Affinity DataKi:  21nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087019(8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES Clc1ccc(Cl)c2C[C@@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-9-21(25)19-14-17(6-7-18(19)20)27-12-10-23(11-13-27)22(29)26-15-28(23)16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,26,29)/t17-/m1/s1
Affinity DataKi:  21nMAssay Description:Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50027473(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
Affinity DataKi:  24nMAssay Description:Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087018(3-Allyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphtha...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Show InChI InChI=1S/C26H29Cl2N3O/c1-2-14-30-18-31(19-6-4-3-5-7-19)26(25(30)32)12-15-29(16-13-26)20-8-9-21-22(17-20)24(28)11-10-23(21)27/h2-7,10-11,20H,1,8-9,12-18H2
Affinity DataKi:  26nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087016(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
Affinity DataKi:  26nMAssay Description:Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1More data for this Ligand-Target Pair
Displayed 1 to 50 (of 95 total ) | Next | Last >>
Jump to: