Compile Data Set for Download or QSAR
Found 1343 of ic50 for UniProtKB: P14416
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319696(6-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
Affinity DataIC50: 0.0920nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50511517(CHEMBL4467483)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4ccc(Br)c(c34)-c2c1OC
Show InChI InChI=1S/C19H20BrNO2/c1-21-9-8-11-4-6-13(20)18-16(11)14(21)10-12-5-7-15(22-2)19(23-3)17(12)18/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1
Affinity DataIC50: 0.123nMAssay Description:Antagonist activity at D2 long receptor (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50511517(CHEMBL4467483)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4ccc(Br)c(c34)-c2c1OC
Show InChI InChI=1S/C19H20BrNO2/c1-21-9-8-11-4-6-13(20)18-16(11)14(21)10-12-5-7-15(22-2)19(23-3)17(12)18/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1
Affinity DataIC50: 0.124nMAssay Description:Antagonist activity at D2 long receptor (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.160nMAssay Description:Antagonist activity against human D2LR expressed in CHOK1 cells assessed as inhibition of pergolide-induced beta-arrestin translocation by beta-galac...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.160nMAssay Description:Antagonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as inhibition of quinpirole-induced beta arrestin2 recruitment...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319702(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C21H21FN4OS/c22-20-13-15-18(2-1-3-19(15)28-20)26-10-8-25(9-11-26)7-6-14-4-5-16-17(12-14)24-21(27)23-16/h1-5,12-13H,6-11H2,(H2,23,24,27)
Affinity DataIC50: 0.219nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319695(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
Affinity DataIC50: 0.242nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.25nMAssay 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))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417295(CHEMBL1276325)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(I)c1OC
Show InChI InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(22-2)11(17)8-12(20)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
Affinity DataIC50: 0.288nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.300nMAssay Description:Antagonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]spiperoneMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50130273(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
Affinity DataIC50: 0.300nMT: 2°CAssay Description:Antagonist activity at dopamine D2 receptor (unknown origin) expressed in CHOK1 cells coexpressing Galpha15 assessed as inhibition of agonist-induced...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319701(6-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C25H28FN3OS/c26-24-17-20-22(5-3-6-23(20)31-24)29-14-12-28(13-15-29)11-2-1-4-18-7-9-21-19(16-18)8-10-25(30)27-21/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,27,30)
Affinity DataIC50: 0.320nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319626(5-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C21H22N4OS/c26-21-22-17-5-4-15(14-18(17)23-21)6-8-24-9-11-25(12-10-24)19-2-1-3-20-16(19)7-13-27-20/h1-5,7,13-14H,6,8-12H2,(H2,22,23,26)
Affinity DataIC50: 0.384nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319692(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H22FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-7,14-15H,8-13H2,(H,25,28)
Affinity DataIC50: 0.480nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417313(CHEMBL1276585)
Show SMILES CCCc1cc(O)c(OC)c(c1)C(=O)NC[C@@H]1CCCN1CC
Show InChI InChI=1S/C18H28N2O3/c1-4-7-13-10-15(17(23-3)16(21)11-13)18(22)19-12-14-8-6-9-20(14)5-2/h10-11,14,21H,4-9,12H2,1-3H3,(H,19,22)/t14-/m0/s1
Affinity DataIC50: 0.501nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319700(6-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)buty...)
Show SMILES Fc1cc(CCCCN2CCN(CC2)c2cccc3sccc23)cc2NC(=O)COc12
Show InChI InChI=1S/C24H26FN3O2S/c25-19-14-17(15-20-24(19)30-16-23(29)26-20)4-1-2-8-27-9-11-28(12-10-27)21-5-3-6-22-18(21)7-13-31-22/h3,5-7,13-15H,1-2,4,8-12,16H2,(H,26,29)
Affinity DataIC50: 0.672nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50026568(CHEMBL23464 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(I)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
Affinity DataIC50: 0.676nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.700nMAssay Description:Antagonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment aft...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 0.810nMAssay Description:Displacement of [3H]methyl-spiperone from human recombinant D2S receptor in HEK293 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417312(CHEMBL1276560)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(Cl)c(CC)cc(O)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(21)16(23-3)14(15(11)18)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 DataIC50: 0.912nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM312156(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
Affinity DataIC50: 0.980nMAssay Description:Dopamine, D2S: Materials and Methods: Receptor Source: Human recombinant expressed in CHO cells Radioligand: [3H]Spiperone (20-60 Ci/mmol) C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 1nMAssay Description:Agonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]-SpiperoneMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50001888((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
Affinity DataIC50: 1nMAssay Description:Antagonist activity at human dopamine D2 receptor expressed in CHOK1 cells assessed as inhibition of apomorphine-induced calcium mobilization by radi...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50001888((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
Affinity DataIC50: 1nMAssay Description:Antagonist activity against human recombinant dopmaine D2L receptor expressed in CHOK1 cells assessed as reduction in apomorphine-induced increase in...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50542261(CHEMBL4644391)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
Show InChI InChI=1S/C23H24N6OS/c24-16-18-6-7-22-25-29(23(30)28(22)17-18)10-2-1-9-26-11-13-27(14-12-26)20-4-3-5-21-19(20)8-15-31-21/h3-8,15,17H,1-2,9-14H2
Affinity DataIC50: 1nMAssay Description:Antagonist activity at D2 receptor (unknown origin) by HTRF cAMP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319701(6-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)CCc3c2)CC1
Show InChI InChI=1S/C25H28FN3OS/c26-24-17-20-22(5-3-6-23(20)31-24)29-14-12-28(13-15-29)11-2-1-4-18-7-9-21-19(16-18)8-10-25(30)27-21/h3,5-7,9,16-17H,1-2,4,8,10-15H2,(H,27,30)
Affinity DataIC50: 1.06nMAssay Description:The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 1.10nMAssay Description:Displacement of [3H]methylspiperone from human recombinant Dopamine D2S receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50057761(CHEMBL3322994)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N5O/c23-17-6-5-7-19(21(17)24)28-14-12-27(13-15-28)10-4-2-9-25-22(30)18-16-29-11-3-1-8-20(29)26-18/h1,3,5-8,11,16H,2,4,9-10,12-15H2,(H,25,30)
Affinity DataIC50: 1.10nMAssay Description:Antagonist activity against human D2LR expressed in CHO cells assessed as inhibition of dopamine-induced [35S]GTPgammaS binding by dopamine potency s...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417296(CHEMBL1276326)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(SC)c1OC
Show InChI InChI=1S/C17H26N2O3S/c1-5-19-10-6-7-12(19)11-18-17(20)15-13(21-2)8-9-14(23-4)16(15)22-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
Affinity DataIC50: 1.10nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50208987(CHEMBL3885419)
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+/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]methyl-spiperone from human recombinant dopamine D2S receptor expressed in HEK293 cells measured after 60 mins by scintillation c...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319704(5-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C22H22FN3OS/c23-21-14-17-19(2-1-3-20(17)28-21)26-10-8-25(9-11-26)7-6-15-4-5-18-16(12-15)13-22(27)24-18/h1-5,12,14H,6-11,13H2,(H,24,27)
Affinity DataIC50: 1.20nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50026045((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 1.27nMAssay Description:Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50026565(3-Ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(CC)c1OC
Show InChI InChI=1S/C18H28N2O3/c1-5-13-9-10-15(22-3)16(17(13)23-4)18(21)19-12-14-8-7-11-20(14)6-2/h9-10,14H,5-8,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
Affinity DataIC50: 1.29nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417297(CHEMBL1276327)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(CC)c1OC
Show InChI InChI=1S/C18H28N2O4/c1-5-12-10-14(21)17(24-4)15(16(12)23-3)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1
Affinity DataIC50: 1.29nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319719(5-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C24H26FN3OS/c25-23-16-19-21(5-3-6-22(19)30-23)28-12-10-27(11-13-28)9-2-1-4-17-7-8-20-18(14-17)15-24(29)26-20/h3,5-8,14,16H,1-2,4,9-13,15H2,(H,26,29)
Affinity DataIC50: 1.30nMAssay Description:The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50366495((+)butaclamol | CHEMBL1255588)
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-/m1/s1
Affinity DataIC50: 1.40nMAssay Description:Binding affinity to human dopamine D2S receptor by radioligand displacement assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417307(CHEMBL1276494)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(22-2)11(17)8-12(20)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
Affinity DataIC50: 1.41nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM81790(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
Affinity DataIC50: 1.5nMAssay Description:The ability of Compound 102 to bind dopamine D2 receptors was measured in a cell-based assay. Dopamine D2 receptor cells were seeded in a half a blac...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50542263(CHEMBL4638430)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2c(cccn12)C#N
Show InChI InChI=1S/C23H24N6OS/c24-17-18-5-4-10-28-22(18)25-29(23(28)30)11-2-1-9-26-12-14-27(15-13-26)20-6-3-7-21-19(20)8-16-31-21/h3-8,10,16H,1-2,9,11-15H2
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at D2 receptor (unknown origin) by HTRF cAMP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM81790(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
Affinity DataIC50: 1.5nMAssay Description:The ability of Compound 102 to bind dopamine D2 receptors was measured in a cell-based assay. Dopamine D2 receptor cells were seeded in a half a blac...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417311(CHEMBL1276559)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(F)c(CC)cc(O)c1OC
Show InChI InChI=1S/C17H25FN2O3/c1-4-11-9-13(21)16(23-3)14(15(11)18)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 DataIC50: 1.51nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417320(CHEMBL1276712)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Cl)c1OC
Show InChI InChI=1S/C16H23ClN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(22-2)11(17)8-12(20)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
Affinity DataIC50: 1.70nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50443101(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
Affinity DataIC50: 1.70nMAssay Description:Antagonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment aft...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50417335(CHEMBL1276647)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(CC)c(CC)cc(O)c1OC
Show InChI InChI=1S/C19H30N2O3/c1-5-13-11-16(22)18(24-4)17(15(13)6-2)19(23)20-12-14-9-8-10-21(14)7-3/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
Affinity DataIC50: 1.78nMAssay Description:Antagonist activity at dopamine D2 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM392076(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
Affinity DataIC50: 1.80nMAssay Description:Displacement of [3H]7-OH-DPAT from human recombinant dopamine D2S receptor after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 1.80nMAssay Description:Antagonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tag...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
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 DataIC50: 1.80nMAssay Description:Antagonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tag...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM319719(5-(4-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)Cc3c2)CC1
Show InChI InChI=1S/C24H26FN3OS/c25-23-16-19-21(5-3-6-22(19)30-23)28-12-10-27(11-13-28)9-2-1-4-17-7-8-20-18(14-17)15-24(29)26-20/h3,5-8,14,16H,1-2,4,9-13,15H2,(H,26,29)
Affinity DataIC50: 1.84nMAssay Description:The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50551625(CHEMBL4776840)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C24H28FN3O4S/c25-19-7-8-22-23(15-19)32-26-24(22)18-9-13-27(14-10-18)11-4-12-28(20-16-31-17-20)33(29,30)21-5-2-1-3-6-21/h1-3,5-8,15,18,20H,4,9-14,16-17H2
Affinity DataIC50: 1.90nMAssay Description:Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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