Compile Data Set for Download or QSAR
Found 13064 of ki for UniProtKB: P14416
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50007522(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Affinity DataKi:  0.00300nMAssay Description:Binding affinity to dopamine D2 receptor (unknown origin)More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0100nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50008782(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Affinity DataKi:  0.0100nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0270nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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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:  0.0270nMAssay Description:Binding affinity to human dopamine D2 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM86187(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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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:  0.0300nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50008782(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0300nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0300nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074092(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
Affinity DataKi:  0.0310nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50241119(7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...)
Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1
Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]methylspiperone from human D2S receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0400nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50060601((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]methylspiperone from human recombinant D2S receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50074093((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0500nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0500nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50530705(CHEMBL4451384)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23?
Affinity DataKi:  0.0525nMAssay Description:Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50530705(CHEMBL4451384)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23?
Affinity DataKi:  0.0525nMAssay Description:Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0530nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50327606(6-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
Show InChI InChI=1S/C25H31N3O2/c29-25-23-17-21(10-9-20(23)18-26-25)30-16-2-1-11-27-12-14-28(15-13-27)24-8-4-6-19-5-3-7-22(19)24/h4,6,8-10,17H,1-3,5,7,11-16,18H2,(H,26,29)
Affinity DataKi:  0.0575nMAssay Description:Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0600nMAssay Description:Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0600nMAssay Description:Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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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:  0.0600nMAssay Description:Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkeyMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50123626((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50123626((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50008782(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50060601((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0600nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0600nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50074092(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
Affinity DataKi:  0.0640nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50074093((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
Affinity DataKi:  0.0670nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM179867(US11147820, Compound Metopimazine | US9132134, Met...)
Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1
Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
Affinity DataKi:  0.0700nMAssay Description:For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50349871(CHEMBL1813595)
Show SMILES FCCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H30FN3O3/c26-11-18-32-24-6-2-1-5-23(24)29-15-13-28(14-16-29)12-3-4-17-31-21-9-7-20-8-10-25(30)27-22(20)19-21/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)
Affinity DataKi:  0.0700nMAssay Description:Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0700nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM179867(US11147820, Compound Metopimazine | US9132134, Met...)
Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1
Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
Affinity DataKi:  0.0700nMAssay Description:The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0700nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50074092(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
Affinity DataKi:  0.0710nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50007422((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
Affinity DataKi:  0.0741nMAssay Description:Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50007422((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
Affinity DataKi:  0.0750nMAssay Description:Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counti...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0800nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50007518((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
Affinity DataKi:  0.0860nMAssay Description:Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

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:  0.0890nMAssay Description:Displacement of [3H]Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells after 2 hrsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50060601((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50008735((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institutet

Curated by ChEMBL
LigandPNGBDBM50074093((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...More data for this Ligand-Target Pair
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