Compile Data Set for Download or QSAR
Found 33 Enz. Inhib. hit(s) with all data for entry = 50021079
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220714(CHEMBL237751 | N-((1s,4s)-4-hydroxy-4-(5-hydroxypy...)
Show SMILES Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-17-7-8-18(21-14-17)20(25)12-10-16(11-13-20)22-19(24)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16,23,25H,6,9-13H2,(H,22,24)/t16-,20+
Affinity DataIC50: 10nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220726(CHEMBL237533 | N-((1s,4s)-4-(3-fluoro-4-hydroxyphe...)
Show SMILES Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-18-14-16(7-8-19(18)24)21(26)12-10-17(11-13-21)23-20(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,17,24,26H,6,9-13H2,(H,23,25)/t17-,21+
Affinity DataIC50: 13nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220729(CHEMBL237320 | N-((1s,4s)-4-hydroxy-4-(4-hydroxyph...)
Show SMILES Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c23-19-9-7-17(8-10-19)21(25)14-12-18(13-15-21)22-20(24)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,23,25H,6,11-15H2,(H,22,24)/t18-,21+
Affinity DataIC50: 19nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220712(CHEMBL395904 | N-((1s,4s)-4-hydroxy-4-(4-hydroxy-2...)
Show SMILES Cc1cc(O)ccc1[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-16-15-19(24)8-9-20(16)22(26)13-11-18(12-14-22)23-21(25)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,18,24,26H,7,10-14H2,1H3,(H,23,25)/t18-,22+
Affinity DataIC50: 25nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220716(CHEMBL236893 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO2/c23-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(24)15-6-16-4-2-1-3-5-16/h1-5,9-10,13-14,17,19,23H,6-8,11-12,15H2,(H,22,24)/t17-,19-
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220727(CHEMBL237534 | N-((1r,4r)-4-(3-fluoro-4-hydroxyphe...)
Show SMILES Oc1ccc(cc1F)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H24FNO2/c22-19-14-17(9-12-20(19)24)16-7-10-18(11-8-16)23-21(25)13-6-15-4-2-1-3-5-15/h1-5,9,12,14,16,18,24H,6-8,10-11,13H2,(H,23,25)/t16-,18-
Affinity DataIC50: 59nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220720(CHEMBL237752 | N-((1s,4s)-4-hydroxy-4-(2-oxo-2,3-d...)
Show SMILES O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1c[nH]c2nc(=O)oc2c1
Show InChI InChI=1S/C21H23N3O4/c25-18(7-6-14-4-2-1-3-5-14)23-16-8-10-21(27,11-9-16)15-12-17-19(22-13-15)24-20(26)28-17/h1-5,12-13,16,27H,6-11H2,(H,23,25)(H,22,24,26)/t16-,21+
Affinity DataIC50: 85nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220725(CHEMBL237101 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1
Show InChI InChI=1S/C19H24N2O2S/c1-13-12-20-19(24-13)11-10-18(23)21-16-6-2-14(3-7-16)15-4-8-17(22)9-5-15/h4-5,8-9,12,14,16,22H,2-3,6-7,10-11H2,1H3,(H,21,23)/t14-,16-
Affinity DataIC50: 96nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220728(CHEMBL237962 | N-((1s,4s)-4-hydroxy-4-(5-hydroxy-4...)
Show SMILES Cc1cc(ncc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-15-13-19(22-14-18(15)24)21(26)11-9-17(10-12-21)23-20(25)8-7-16-5-3-2-4-6-16/h2-6,13-14,17,24,26H,7-12H2,1H3,(H,23,25)/t17-,21+
Affinity DataIC50: 116nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220715(CHEMBL237321 | N-((1s,4s)-4-hydroxy-4-(4-hydroxy-3...)
Show SMILES Cc1cc(ccc1O)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-16-15-18(8-9-20(16)24)22(26)13-11-19(12-14-22)23-21(25)10-7-17-5-3-2-4-6-17/h2-6,8-9,15,19,24,26H,7,10-14H2,1H3,(H,23,25)/t19-,22+
Affinity DataIC50: 189nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220713(CHEMBL237323 | N-((1r,4r)-4-(4-hydroxy-2-methylphe...)
Show SMILES Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-15-20(24)12-13-21(16)18-8-10-19(11-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,12-13,15,18-19,24H,7-11,14H2,1H3,(H,23,25)/t18-,19-
Affinity DataIC50: 722nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220718(CHEMBL236895 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1
Show InChI InChI=1S/C20H24N2O2/c23-19-11-6-16(7-12-19)15-4-8-18(9-5-15)22-20(24)13-10-17-3-1-2-14-21-17/h1-3,6-7,11-12,14-15,18,23H,4-5,8-10,13H2,(H,22,24)/t15-,18-
Affinity DataIC50: 856nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220734(2-(dimethylamino)-N-((1r,4r)-4-(4-hydroxyphenyl)cy...)
Show SMILES CN(C)C(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC1)c1ccc(O)cc1
Show InChI InChI=1S/C23H30N2O2/c1-25(2)22(16-17-6-4-3-5-7-17)23(27)24-20-12-8-18(9-13-20)19-10-14-21(26)15-11-19/h3-7,10-11,14-15,18,20,22,26H,8-9,12-13,16H2,1-2H3,(H,24,27)/t18-,20-,22?
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220719(CHEMBL236894 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1
Show InChI InChI=1S/C20H24N2O2/c23-19-10-6-17(7-11-19)16-4-8-18(9-5-16)22-20(24)12-3-15-2-1-13-21-14-15/h1-2,6-7,10-11,13-14,16,18,23H,3-5,8-9,12H2,(H,22,24)/t16-,18-
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220723(CHEMBL237102 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C22H26N2O2/c25-20-11-7-16(8-12-20)15-5-9-19(10-6-15)24-22(26)21-13-17-3-1-2-4-18(17)14-23-21/h1-4,7-8,11-12,15,19,21,23,25H,5-6,9-10,13-14H2,(H,24,26)/t15-,19-,21?
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220731(CHEMBL393609 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Cn1c(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)nc2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-26-21-5-3-2-4-20(21)25-22(26)14-15-23(28)24-18-10-6-16(7-11-18)17-8-12-19(27)13-9-17/h2-5,8-9,12-13,16,18,27H,6-7,10-11,14-15H2,1H3,(H,24,28)/t16-,18-
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220730((R)-6-(2-(4-(3-fluorophenyl)-4-hydroxypiperidin-1-...)
Show SMILES O[C@@H](CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H25FN2O3/c23-18-3-1-2-17(13-18)22(28)8-10-25(11-9-22)14-20(26)16-4-6-19-15(12-16)5-7-21(27)24-19/h1-4,6,12-13,20,26,28H,5,7-11,14H2,(H,24,27)/t20-/m0/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220732(CHEMBL237965 | N-((1s,4s)-4-hydroxy-4-(1H-pyrazol-...)
Show SMILES O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cn[nH]c1
Show InChI InChI=1S/C18H23N3O2/c22-17(7-6-14-4-2-1-3-5-14)21-16-8-10-18(23,11-9-16)15-12-19-20-13-15/h1-5,12-13,16,23H,6-11H2,(H,19,20)(H,21,22)/t16-,18+
Affinity DataIC50: 2.44E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220735(CHEMBL238184 | N-((1s,4s)-4-(1H-benzo[d]imidazol-5...)
Show SMILES O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C22H25N3O2/c26-21(9-6-16-4-2-1-3-5-16)25-18-10-12-22(27,13-11-18)17-7-8-19-20(14-17)24-15-23-19/h1-5,7-8,14-15,18,27H,6,9-13H2,(H,23,24)(H,25,26)/t18-,22+
Affinity DataIC50: 4.96E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220721(CHEMBL398127 | N-((1s,4s)-4-hydroxy-4-(1H-imidazol...)
Show SMILES O[C@@]1(CC[C@@H](CC1)NC(=O)CCc1ccccc1)c1cnc[nH]1
Show InChI InChI=1S/C18H23N3O2/c22-17(7-6-14-4-2-1-3-5-14)21-15-8-10-18(23,11-9-15)16-12-19-13-20-16/h1-5,12-13,15,23H,6-11H2,(H,19,20)(H,21,22)/t15-,18+
Affinity DataIC50: 5.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220717(CHEMBL237964 | N-((1s,4s)-4-(6-aminopyridin-3-yl)-...)
Show SMILES Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-18-8-7-16(14-22-18)20(25)12-10-17(11-13-20)23-19(24)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,17,25H,6,9-13H2,(H2,21,22)(H,23,24)/t17-,20+
Affinity DataIC50: 5.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220722(CHEMBL237322 | N-((1r,4r)-4-(4-hydroxy-3-methylphe...)
Show SMILES Cc1cc(ccc1O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-15-19(10-13-21(16)24)18-8-11-20(12-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,10,13,15,18,20,24H,7-9,11-12,14H2,1H3,(H,23,25)/t18-,20-
Affinity DataIC50: 5.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220724(CHEMBL237963 | N-((1s,4s)-4-hydroxy-4-(6-(methylsu...)
Show SMILES CS(=O)(=O)Nc1ccc(cn1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27N3O4S/c1-29(27,28)24-19-9-8-17(15-22-19)21(26)13-11-18(12-14-21)23-20(25)10-7-16-5-3-2-4-6-16/h2-6,8-9,15,18,26H,7,10-14H2,1H3,(H,22,24)(H,23,25)/t18-,21+
Affinity DataIC50: 5.00E+3nMAssay Description:Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membraneMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220725(CHEMBL237101 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1
Show InChI InChI=1S/C19H24N2O2S/c1-13-12-20-19(24-13)11-10-18(23)21-16-6-2-14(3-7-16)15-4-8-17(22)9-5-15/h4-5,8-9,12,14,16,22H,2-3,6-7,10-11H2,1H3,(H,21,23)/t14-,16-
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220716(CHEMBL236893 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO2/c23-20-13-9-18(10-14-20)17-7-11-19(12-8-17)22-21(24)15-6-16-4-2-1-3-5-16/h1-5,9-10,13-14,17,19,23H,6-8,11-12,15H2,(H,22,24)/t17-,19-
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220729(CHEMBL237320 | N-((1s,4s)-4-hydroxy-4-(4-hydroxyph...)
Show SMILES Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c23-19-9-7-17(8-10-19)21(25)14-12-18(13-15-21)22-20(24)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,23,25H,6,11-15H2,(H,22,24)/t18-,21+
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220714(CHEMBL237751 | N-((1s,4s)-4-hydroxy-4-(5-hydroxypy...)
Show SMILES Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-17-7-8-18(21-14-17)20(25)12-10-16(11-13-20)22-19(24)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,16,23,25H,6,9-13H2,(H,22,24)/t16-,20+
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220733(4-benzyl-1-(2-hydroxy-2-(4-hydroxyphenyl)ethyl)pip...)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H23NO3/c22-18-8-6-17(7-9-18)19(23)14-21-11-10-16(13-20(21)24)12-15-4-2-1-3-5-15/h1-9,16,19,22-23H,10-14H2
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220726(CHEMBL237533 | N-((1s,4s)-4-(3-fluoro-4-hydroxyphe...)
Show SMILES Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-18-14-16(7-8-19(18)24)21(26)12-10-17(11-13-21)23-20(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14,17,24,26H,6,9-13H2,(H,23,25)/t17-,21+
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220723(CHEMBL237102 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C22H26N2O2/c25-20-11-7-16(8-12-20)15-5-9-19(10-6-15)24-22(26)21-13-17-3-1-2-4-18(17)14-23-21/h1-4,7-8,11-12,15,19,21,23,25H,5-6,9-10,13-14H2,(H,24,26)/t15-,19-,21?
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220719(CHEMBL236894 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1
Show InChI InChI=1S/C20H24N2O2/c23-19-10-6-17(7-11-19)16-4-8-18(9-5-16)22-20(24)12-3-15-2-1-13-21-14-15/h1-2,6-7,10-11,13-14,16,18,23H,3-5,8-9,12H2,(H,22,24)/t16-,18-
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220718(CHEMBL236895 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclo...)
Show SMILES Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1
Show InChI InChI=1S/C20H24N2O2/c23-19-11-6-16(7-12-19)15-4-8-18(9-5-15)22-20(24)13-10-17-3-1-2-14-21-17/h1-3,6-7,11-12,14-15,18,23H,4-5,8-10,13H2,(H,22,24)/t15-,18-
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220713(CHEMBL237323 | N-((1r,4r)-4-(4-hydroxy-2-methylphe...)
Show SMILES Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-16-15-20(24)12-13-21(16)18-8-10-19(11-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,12-13,15,18-19,24H,7-11,14H2,1H3,(H,23,25)/t18-,19-
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human HERG expressed in HEK293 cellsMore data for this Ligand-Target Pair