Compile Data Set for Download or QSAR
Found 13 Enz. Inhib. hit(s) with all data for entry = 50040834
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400876(CHEMBL2204347)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400875(CHEMBL2204353)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.101nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400874(CHEMBL2086410)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.106nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400873(CHEMBL2088029)
Show SMILES CC(C)N(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1
Affinity DataKi:  0.137nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400872(CHEMBL2088033)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400871(CHEMBL2088030)
Show SMILES CC(C)NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C24H30F2N2O2S/c1-16(2)27-23(29)19(13-17-5-3-4-6-20(17)25)15-28-10-8-24(9-11-28)22-18(7-12-30-24)14-21(26)31-22/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,27,29)/t19-/m0/s1
Affinity DataKi:  0.231nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400870(CHEMBL559569 | SB-612111)
Show SMILES Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
Show InChI InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3
Affinity DataKi:  0.253nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400869(CHEMBL2088031)
Show SMILES CC(C)NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C24H30F2N2O2S/c1-16(2)27-23(29)19(13-17-5-3-4-6-20(17)25)15-28-10-8-24(9-11-28)22-18(7-12-30-24)14-21(26)31-22/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,27,29)/t19-/m1/s1
Affinity DataKi:  4.51nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400868(CHEMBL2204349)
Show SMILES CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
Affinity DataKi:  5.32nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400867(CHEMBL2088032)
Show SMILES NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m1/s1
Affinity DataKi:  5.61nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400866(CHEMBL2204348)
Show SMILES CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
Affinity DataKi:  9.08nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400865(CHEMBL2204346)
Show SMILES CC(C)N(C)C(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m1/s1
Affinity DataKi:  10.2nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400864(CHEMBL2204354)
Show SMILES NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m1/s1
Affinity DataKi:  17.1nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair