Compile Data Set for Download or QSAR
Found 9876 with Last Name = 'dehnhardt' and Initial = 'cm'
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50001023((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
Affinity DataKi:  0.0520nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50007102(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
Affinity DataKi:  0.0730nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50001023((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
Affinity DataKi:  0.100nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50007102(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
Affinity DataKi:  0.170nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM60212((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
Affinity DataKi:  0.170nMAssay Description:Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGOMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50001023((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
Affinity DataKi:  0.180nMAssay Description:Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123995((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
Affinity DataKi:  0.290nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM60212((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
Affinity DataKi:  0.310nMAssay Description:Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593More data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50001023((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
Affinity DataKi:  0.320nMAssay Description:Binding affinity towards guinea pig Opioid receptor mu 1 using radioligand [3H]DAMGOMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521576(CHEMBL4462278)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cc[nH]n1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N6O3S/c23-15-10-14-17(32-7-3-13(22(24,25)26)9-18(32)16-1-6-29-30-16)4-8-35-19(14)11-20(15)36(33,34)31-21-2-5-27-12-28-21/h1-2,5-6,10-13,17-18H,3-4,7-9H2,(H,29,30)(H,27,28,31)/t13-,17-,18+/m0/s1
Affinity DataKi:  0.320nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50101160(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)
Affinity DataKi:  0.410nMAssay Description:Binding affinity towards guinea pig Opioid receptor mu 1 using radioligand [3H]DAMGOMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123995((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
Affinity DataKi:  0.470nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123997((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521582(CHEMBL4543884)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N6O3S/c23-16-8-15-17(32-5-2-14(22(24,25)26)7-18(32)13-10-29-30-11-13)3-6-35-19(15)9-20(16)36(33,34)31-21-1-4-27-12-28-21/h1,4,8-12,14,17-18H,2-3,5-7H2,(H,29,30)(H,27,28,31)/t14-,17-,18+/m0/s1
Affinity DataKi:  0.510nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDelta-type opioid receptor(Homo sapiens (Human))
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50101160(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)
Affinity DataKi:  0.530nMAssay Description:Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U69,593More data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50466967(CHEMBL4282994)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C25H23F5N4O3S/c26-17-3-1-15(2-4-17)21-11-16(25(28,29)30)6-9-34(21)20-7-10-37-22-13-23(19(27)12-18(20)22)38(35,36)33-24-5-8-31-14-32-24/h1-5,8,12-14,16,20-21H,6-7,9-11H2,(H,31,32,33)/t16-,20-,21+/m0/s1
Affinity DataKi:  0.530nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50085020(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
Affinity DataKi:  0.540nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123988((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
Affinity DataKi:  0.570nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50001023((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
Affinity DataKi:  0.580nMAssay Description:Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123997((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
Affinity DataKi:  0.640nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521579(CHEMBL4543422)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C24H23F4N5O3S/c25-18-11-17-19(33-8-4-16(24(26,27)28)10-20(33)15-2-1-6-29-13-15)5-9-36-21(17)12-22(18)37(34,35)32-23-3-7-30-14-31-23/h1-3,6-7,11-14,16,19-20H,4-5,8-10H2,(H,30,31,32)/t16-,19-,20+/m0/s1
Affinity DataKi:  0.680nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521586(CHEMBL4473871)
Show SMILES Cn1ccc(n1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6O3S/c1-32-7-4-17(30-32)19-10-14(23(25,26)27)3-8-33(19)18-5-9-36-20-12-21(16(24)11-15(18)20)37(34,35)31-22-2-6-28-13-29-22/h2,4,6-7,11-14,18-19H,3,5,8-10H2,1H3,(H,28,29,31)/t14-,18-,19+/m0/s1
Affinity DataKi:  0.760nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
Affinity DataKi:  0.780nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521571(CHEMBL4464990)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1
Affinity DataKi:  0.790nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50124002(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
Affinity DataKi:  0.800nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521573(CHEMBL4519170)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O3S2/c24-16-3-1-14(2-4-16)20-11-15(23(25,26)27)7-9-31(20)19-8-10-34-21-12-17(5-6-18(19)21)36(32,33)30-22-28-13-29-35-22/h1-6,12-13,15,19-20H,7-11H2,(H,28,29,30)/t15-,19-,20+/m0/s1
Affinity DataKi:  0.850nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000092((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Affinity DataKi:  0.880nMAssay Description:Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGOMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123988((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
Affinity DataKi:  0.910nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521569(CHEMBL4446868)
Show SMILES Cn1nccc1[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6O3S/c1-32-18(2-7-30-32)19-10-14(23(25,26)27)4-8-33(19)17-5-9-36-20-12-21(16(24)11-15(17)20)37(34,35)31-22-3-6-28-13-29-22/h2-3,6-7,11-14,17,19H,4-5,8-10H2,1H3,(H,28,29,31)/t14-,17-,19+/m0/s1
Affinity DataKi:  0.930nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521568(CHEMBL4444408)
Show SMILES FC(F)(F)[C@H]1CCN([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)16-8-10-30(20(12-16)15-4-2-1-3-5-15)19-9-11-33-21-13-17(6-7-18(19)21)35(31,32)29-22-27-14-28-34-22/h1-7,13-14,16,19-20H,8-12H2,(H,27,28,29)/t16-,19-,20+/m0/s1
Affinity DataKi:  0.970nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123993((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
Affinity DataKi:  1nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521577(CHEMBL4530176)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cnco1)C(F)(F)F
Show InChI InChI=1S/C22H21F4N5O4S/c23-15-8-14-16(31-5-2-13(22(24,25)26)7-17(31)19-10-28-12-35-19)3-6-34-18(14)9-20(15)36(32,33)30-21-1-4-27-11-29-21/h1,4,8-13,16-17H,2-3,5-7H2,(H,27,29,30)/t13-,16-,17+/m0/s1
Affinity DataKi:  1nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123985(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
Affinity DataKi:  1nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123994(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50092176(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50085020(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521585(CHEMBL4557850)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccon1)C(F)(F)F
Show InChI InChI=1S/C24H22F5N3O4S/c25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-7-10-36-30-23/h1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31)/t15-,19-,20+/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50085021(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521580(CHEMBL4474681)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncn1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N6O3S/c24-16-10-15-18(33-7-3-14(23(25,26)27)9-19(33)17-1-5-28-12-30-17)4-8-36-20(15)11-21(16)37(34,35)32-22-2-6-29-13-31-22/h1-2,5-6,10-14,18-19H,3-4,7-9H2,(H,29,31,32)/t14-,18-,19+/m0/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521578(CHEMBL4444085)
Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C24H23F4N5O3S/c25-18-12-17-19(33-9-4-16(24(26,27)28)11-20(33)15-1-6-29-7-2-15)5-10-36-21(17)13-22(18)37(34,35)32-23-3-8-30-14-31-23/h1-3,6-8,12-14,16,19-20H,4-5,9-11H2,(H,30,31,32)/t16-,19-,20+/m0/s1
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123993((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50092176(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
Affinity DataKi:  1.80nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50128411(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1
Affinity DataKi:  1.90nMAssay Description:Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGOMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50124007(CHEMBL2368318 | [6,11-Dimethyl-3-(tetrahydro-furan...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1
Show InChI InChI=1S/C25H32N2O/c1-18-24-15-19-10-11-21(26-20-7-4-3-5-8-20)16-23(19)25(18,2)12-13-27(24)17-22-9-6-14-28-22/h3-5,7-8,10-11,16,18,22,24,26H,6,9,12-15,17H2,1-2H3/t18-,22-,24+,25-/m0/s1
Affinity DataKi:  2nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123998((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C25H32N2O/c1-17-23-14-19-10-11-20(26-22-6-4-5-7-24(22)28-3)15-21(19)25(17,2)12-13-27(23)16-18-8-9-18/h4-7,10-11,15,17-18,23,26H,8-9,12-14,16H2,1-3H3/t17-,23?,25-/m0/s1
Affinity DataKi:  2.20nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123992(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
Affinity DataKi:  2.20nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50007102(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
Affinity DataKi:  2.5nMAssay Description:Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50123996((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
Affinity DataKi:  2.5nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50124007(CHEMBL2368318 | [6,11-Dimethyl-3-(tetrahydro-furan...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1
Show InChI InChI=1S/C25H32N2O/c1-18-24-15-19-10-11-21(26-20-7-4-3-5-8-20)16-23(19)25(18,2)12-13-27(24)17-22-9-6-14-28-22/h3-5,7-8,10-11,16,18,22,24,26H,6,9,12-15,17H2,1-2H3/t18-,22-,24+,25-/m0/s1
Affinity DataKi:  2.80nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50521575(CHEMBL4450910)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F
Show InChI InChI=1S/C25H23F5N4O3S/c26-17-5-3-15(4-6-17)21-12-16(25(28,29)30)7-10-34(21)20-8-11-37-22-14-23(19(27)13-18(20)22)38(35,36)33-24-2-1-9-31-32-24/h1-6,9,13-14,16,20-21H,7-8,10-12H2,(H,32,33)/t16-,20-,21+/m0/s1
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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