Compile Data Set for Download or QSAR
Found 99 of kd for UniProtKB: P61169
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50487259(CHEBI:64219 | [3H]NEMONAPRIDE)
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-/m1/s1
Affinity DataKd:  0.0140nMAssay Description:Binding affinity to Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintill...More data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50487259(CHEBI:64219 | [3H]NEMONAPRIDE)
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-/m1/s1
Affinity DataKd:  0.0160nMAssay Description:Binding affinity to Rattus norvegicus (rat) chimeric dopamine D2 trunk/D2 tail receptor transfected in african green monkey COS7 cells after 1 hr by ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50033383((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)
Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
Affinity DataKd:  0.0400nMAssay Description:Binding affinity against Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50004813(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
Affinity DataKd:  0.0970nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
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 DataKd:  0.170nMAssay Description:Affinity constant of compound was evaluated in rat striatum tissue preparation.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
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 DataKd:  0.170nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012966(8-[4-(4-Fluoro-2-iodo-phenyl)-4-oxo-butyl]-1-pheny...)
Show SMILES Fc1ccc(C(=O)CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)c(I)c1
Show InChI InChI=1S/C23H25FIN3O2/c24-17-8-9-19(20(25)15-17)21(29)7-4-12-27-13-10-23(11-14-27)22(30)26-16-28(23)18-5-2-1-3-6-18/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,26,30)
Affinity DataKd:  0.25nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.300nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.400nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012961((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
Affinity DataKd:  0.430nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50020704(CHEMBL8475 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCCC1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)
Affinity DataKd:  0.430nMAssay Description:Affinity constant of compound was evaluated in rat striatum tissue preparation.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.600nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091033(9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo...)
Show SMILES C[N@@H+]1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(N)=O
Show InChI InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1
Affinity DataKd:  0.620nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091033(9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo...)
Show SMILES C[N@@H+]1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(N)=O
Show InChI InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1
Affinity DataKd:  1nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50005118((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
Affinity DataKd:  1.10nMAssay Description:Affinity constant of compound was evaluated in rat striatum tissue preparation.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50005118((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
Affinity DataKd:  1.20nMAssay Description:Binding affinity to D2 receptor in rat brain striatal homogenates after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50040082(CHEMBL307023 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(I)c(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H22IN3O4S/c1-3-19-8-4-5-10(19)9-18-15(20)13-11(23-2)6-7-12(14(13)16)24(17,21)22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t10-/m0/s1
Affinity DataKd:  1.5nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKd:  1.5nMAssay Description:Affinity constant of compound was evaluated in rat striatum tissue preparation.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091033(9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo...)
Show SMILES C[N@@H+]1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(N)=O
Show InChI InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1
Affinity DataKd:  1.80nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  2.30nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091033(9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo...)
Show SMILES C[N@@H+]1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(N)=O
Show InChI InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1
Affinity DataKd:  2.80nMAssay Description:In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091033(9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo...)
Show SMILES C[N@@H+]1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(N)=O
Show InChI InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/p+1/t10-,14-/m1/s1
Affinity DataKd:  2.80nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012967(CHEMBL49897 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/t12-/m0/s1
Affinity DataKd:  3nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM81993(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
Affinity DataKd:  4nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
Affinity DataKd:  4nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50005118((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
Affinity DataKd:  7.10nMAssay Description:Affinity constant of compound was evaluated in human brainMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM81993(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
Affinity DataKd:  8nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM81993(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
Affinity DataKd:  8nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
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 DataKd:  9nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50010289((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
Affinity DataKd:  10nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50010289((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
Affinity DataKd:  12nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012968(4-Azido-N-(1-benzyl-piperidin-4-yl)-5-iodo-2-metho...)
Show SMILES COc1cc(N=[N+]=[N-])c(I)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22IN5O2/c1-28-19-12-18(24-25-22)17(21)11-16(19)20(27)23-15-7-9-26(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,27)
Affinity DataKd:  14nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM81993(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
Affinity DataKd:  17nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
Affinity DataKd:  30nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012964(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-17-9-5-6-11(17)10-16-15(19)14-12(18)7-4-8-13(14)20-2/h4,7-8,11,18H,3,5-6,9-10H2,1-2H3,(H,16,19)/t11-/m0/s1
Affinity DataKd:  31nMAssay Description:Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissueMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50012964(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-17-9-5-6-11(17)10-16-15(19)14-12(18)7-4-8-13(14)20-2/h4,7-8,11,18H,3,5-6,9-10H2,1-2H3,(H,16,19)/t11-/m0/s1
Affinity DataKd:  31nMAssay Description:Affinity constant of compound was evaluated in rat striatum tissue preparation.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50010289((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
Affinity DataKd:  34nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
Affinity DataKd:  40nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
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 DataKd:  40nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50017543((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
Affinity DataKd:  45nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50010289((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
Affinity DataKd:  90nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091032(6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl-a...)
Show SMILES [NH3+][C@@H]1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2/p+1/t8-/m1/s1
Affinity DataKd:  120nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50001955((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
Affinity DataKd:  200nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50091032(6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl-a...)
Show SMILES [NH3+][C@@H]1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2/p+1/t8-/m1/s1
Affinity DataKd:  210nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50032516((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1
Affinity DataKd:  300nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50004921((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
Affinity DataKd:  300nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50054067((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
Affinity DataKd:  300nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
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 DataKd:  370nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50032516((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1
Affinity DataKd:  400nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50049048((R)-3-Allyl-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
Affinity DataKd:  400nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
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