Compile Data Set for Download or QSAR
Found 4263 Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor'
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50122050(CHEMBL156599 | N-{2-[4-(2,3-Dichloro-phenyl)-piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-16-5-2-4-15(14-16)20(26)23-8-9-24-10-12-25(13-11-24)18-7-3-6-17(21)19(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
Affinity DataKi:  0.0180nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

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:  0.0250nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50530438(Mosapramine | Mosapramine hydrochloride)
Show SMILES Clc1ccc2CCc3ccccc3N(CCCN3CCC4(CC3)N3CCCCC3NC4=O)c2c1
Show InChI InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)
Affinity DataKi:  0.0300nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50005120(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50005120(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50530438(Mosapramine | Mosapramine hydrochloride)
Show SMILES Clc1ccc2CCc3ccccc3N(CCCN3CCC4(CC3)N3CCCCC3NC4=O)c2c1
Show InChI InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)
Affinity DataKi:  0.0300nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50122026(CHEMBL157322 | N-{2-[4-(2-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-26-17-6-4-5-16(15-17)20(25)22-9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
Affinity DataKi:  0.0400nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

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:  0.0400nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

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:  0.0400nMAssay Description:In vitro binding affinity at human Dopamine receptor D4.4 by [3H]-YM-09151-2 displacement.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50183266(Anquil | Benperidol | Benquil | MCN-JR-4584 | R-45...)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
Affinity DataKi:  0.0660nMAssay Description:Binding affinity to human dopamine D4 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM81492(BENPERIDOL | CAS_2062-84-2 | NSC_16363)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
Affinity DataKi:  0.0660nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM85223(CAS_115368 | NSC_115368 | Perospirone)
Show SMILES O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50005120(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50122032(3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28)
Affinity DataKi:  0.210nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM84637(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50132696(CHEMBL326454 | N-((3R,4R)-1-Benzyl-4-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1
Affinity DataKi:  0.230nMAssay Description:Ability to displace [3H]-spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50001885((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189854(6-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
Show InChI InChI=1S/C19H21BrN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.25nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189854(6-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
Show InChI InChI=1S/C19H21BrN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.25nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50505700(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50001885((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189854(6-bromo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(Br)ccc3n2)CC1
Show InChI InChI=1S/C19H21BrN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell membraneMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50122047(CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)
Affinity DataKi:  0.260nMAssay Description:Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50184795(1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)m...)
Show SMILES COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM85222(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50061349(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
Affinity DataKi:  0.309nMAssay Description:Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determinedMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50061349(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
Affinity DataKi:  0.310nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50257034(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
Affinity DataKi:  0.330nMAssay Description:Inhibition of human dopamine D4 receptorMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189841(6-iodo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
Show InChI InChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell membraneMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.330nMAssay Description:Biniding affinity for Dopamine receptor D4More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189841(6-iodo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
Show InChI InChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.330nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50189841(6-iodo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
Show InChI InChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
Affinity DataKi:  0.330nMAssay Description:Agonist activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50079161(5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-...)
Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(C)c2)CC1)-c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)
Affinity DataKi:  0.330nMAssay Description:Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell linesMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50257034(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
Affinity DataKi:  0.331nMAssay Description:Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
University of Toronto

Curated by PDSP Ki Database
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(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50061345(CHEMBL129927 | [2-(3,4-Dimethyl-phenoxy)-ethyl]-(3...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1C
Show InChI InChI=1S/C19H25NO2/c1-16-9-10-19(15-17(16)2)22-14-12-20-11-6-13-21-18-7-4-3-5-8-18/h3-5,7-10,15,20H,6,11-14H2,1-2H3
Affinity DataKi:  0.347nMAssay Description:Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determinedMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Affinity DataKi:  0.350nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50061345(CHEMBL129927 | [2-(3,4-Dimethyl-phenoxy)-ethyl]-(3...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1C
Show InChI InChI=1S/C19H25NO2/c1-16-9-10-19(15-17(16)2)22-14-12-20-11-6-13-21-18-7-4-3-5-8-18/h3-5,7-10,15,20H,6,11-14H2,1-2H3
Affinity DataKi:  0.350nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM81493(CAS_749-13-3 | TRIFLUORPERIDOL)
Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2
Affinity DataKi:  0.350nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50167934(CHEMBL191962 | N-{4-[4-(2-methoxyphenyl)piperazin-...)
Show SMILES [Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O
Show InChI InChI=1S/C21H24N3O2.C5H.Ru/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-17H2,1H3,(H,22,25);1H;
Affinity DataKi:  0.370nMAssay Description:Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50077001(1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperi...)
Show SMILES Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
Affinity DataKi:  0.390nMAssay Description:Binding affinity of compound towards human Dopamine receptor D4 by displacing [125I]-iodosulpiride expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50077001(1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperi...)
Show SMILES Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
Affinity DataKi:  0.390nMAssay Description:Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(RAT)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM21397(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Affinity DataKi:  0.390nMMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM85093(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  0.400nMAssay Description:Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 4263 total ) | Next | Last >>
Jump to: