Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50032448
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329410(CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329412(CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)
Affinity DataKi:  0.930nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329407(CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)
Affinity DataKi:  1.52nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329408(CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
Affinity DataKi:  1.76nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329405(CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
Affinity DataKi:  1.93nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329409(CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)
Affinity DataKi:  2.64nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329413(CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)
Affinity DataKi:  2.92nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50068366(CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
Affinity DataKi:  4.97nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50122028(3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
Affinity DataKi:  9.21nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50122044(CHEMBL345111 | N-{2-[4-(5-Chloro-pyridin-2-yl)-pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H23ClN4O2/c1-26-17-4-2-3-15(13-17)19(25)21-7-8-23-9-11-24(12-10-23)18-6-5-16(20)14-22-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)
Affinity DataKi:  11.3nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329411(CHEMBL1270422 | N-[2-[4-(4-Cyanophenyl)piperazin-1...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21FN4O/c21-18-5-3-17(4-6-18)20(26)23-9-10-24-11-13-25(14-12-24)19-7-1-16(15-22)2-8-19/h1-8H,9-14H2,(H,23,26)
Affinity DataKi:  32.7nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
Universita` degli Studi di Bari A Moro

Curated by ChEMBL
LigandPNGBDBM50329406(CHEMBL1270120 | N-[2-[4-(4-Cyanophenyl)piperazin-1...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H24N4O2/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)19-7-5-17(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)
Affinity DataKi:  64.0nMAssay Description:Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair