Compile Data Set for Download or QSAR
Found 144 Enz. Inhib. hit(s) with all data for entry = 50045337
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
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 DataKi:  0.300nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057773(CHEMBL3322995)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C23H26F3N5O/c24-23(25,26)18-6-5-7-19(16-18)30-14-12-29(13-15-30)10-4-2-9-27-22(32)20-17-31-11-3-1-8-21(31)28-20/h1,3,5-8,11,16-17H,2,4,9-10,12-15H2,(H,27,32)
Affinity DataKi:  2.90nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057772(CHEMBL3322993)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
Affinity DataKi:  3.5nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  4.20nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057770(CHEMBL3323013)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-32-19(25(26,27)28)16-20(33-23)35-14-12-34(13-15-35)11-7-6-10-29-22(36)21-30-17-8-4-5-9-18(17)31-21/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,29,36)(H,30,31)
Affinity DataKi:  4.30nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057789(CHEMBL3322996)
Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1)C#N
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)19-13-18(16-28)14-20(15-19)32-11-9-31(10-12-32)7-4-2-6-29-23(34)21-17-33-8-3-1-5-22(33)30-21/h1,3,5,8,13-15,17H,2,4,6-7,9-12H2,(H,29,34)
Affinity DataKi:  6.40nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057763(CHEMBL3323016 | US9598387, Compound 115 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccncc3n2)CC1
Show InChI InChI=1S/C24H31F3N8O/c1-23(2,3)22-31-18(24(25,26)27)14-19(32-22)34-12-10-33(11-13-34)8-5-4-6-29-21(36)17-16-35-9-7-28-15-20(35)30-17/h7,9,14-16H,4-6,8,10-13H2,1-3H3,(H,29,36)
Affinity DataKi:  8nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057777(CHEMBL3323010 | US9598387, Compound 112 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1)C1CC1
Show InChI InChI=1S/C27H37N7O/c1-27(2,3)26-30-21(20-9-10-20)18-24(31-26)33-16-14-32(15-17-33)12-7-5-11-28-25(35)22-19-34-13-6-4-8-23(34)29-22/h4,6,8,13,18-20H,5,7,9-12,14-17H2,1-3H3,(H,28,35)
Affinity DataKi:  8.40nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  8.40nMAssay Description:Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  9.10nMAssay Description:Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057779(CHEMBL3323008 | US9598387, Compound 111 | US996974...)
Show SMILES Cc1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H35N7O/c1-19-17-22(29-24(27-19)25(2,3)4)31-15-13-30(14-16-31)11-8-6-10-26-23(33)20-18-32-12-7-5-9-21(32)28-20/h5,7,9,12,17-18H,6,8,10-11,13-16H2,1-4H3,(H,26,33)
Affinity DataKi:  9.30nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057759(CHEMBL3323117)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)CC1
Show InChI InChI=1S/C30H42F3N5O/c1-29(2,3)28-35-25(30(31,32)33)21-26(36-28)38-19-17-37(18-20-38)16-8-7-15-34-27(39)24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-10,21,23-24H,7-8,11-20H2,1-3H3,(H,34,39)/t23-,24-
Affinity DataKi:  9.40nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057767(CHEMBL3323017 | US9598387, Compound 116 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
Show InChI InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
Affinity DataKi:  10nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057790(CHEMBL3322992)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cn2ccccc2n1
Show InChI InChI=1S/C22H27N5O/c28-22(20-18-27-13-6-4-10-21(27)24-20)23-11-5-7-12-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10,13,18H,5,7,11-12,14-17H2,(H,23,28)
Affinity DataKi:  10nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057771(CHEMBL3323012)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H33F3N6O/c1-25(2,3)24-32-21(26(27,28)29)17-22(33-24)35-14-12-34(13-15-35)11-7-6-10-30-23(36)20-16-18-8-4-5-9-19(18)31-20/h4-5,8-9,16-17,31H,6-7,10-15H2,1-3H3,(H,30,36)
Affinity DataKi:  11nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
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 DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057768(CHEMBL3323015 | US9598387, Compound 114 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3cccnc3n2)CC1
Show InChI InChI=1S/C24H31F3N8O/c1-23(2,3)21-31-18(24(25,26)27)15-19(32-21)34-13-11-33(12-14-34)9-5-4-7-28-20(36)17-16-35-10-6-8-29-22(35)30-17/h6,8,10,15-16H,4-5,7,9,11-14H2,1-3H3,(H,28,36)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  13nMAssay Description:Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057778(CHEMBL3323009 | US9598387, Compound 122 | US996974...)
Show SMILES CC(C)(C)c1cc(nc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C28H41N7O/c1-27(2,3)22-19-24(32-26(31-22)28(4,5)6)34-17-15-33(16-18-34)13-10-8-12-29-25(36)21-20-35-14-9-7-11-23(35)30-21/h7,9,11,14,19-20H,8,10,12-13,15-18H2,1-6H3,(H,29,36)
Affinity DataKi:  19nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057772(CHEMBL3322993)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
Affinity DataKi:  19nMAssay Description:Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  19nMAssay Description:Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  20nMAssay Description:Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057774(CHEMBL3322998 | US9598387, Compound 117 | US996974...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccnc2ccccc12)c1cn2ccccc2n1
Show InChI InChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-24(31)28-22)27-11-4-6-13-29-15-17-30(18-16-29)23-10-12-26-21-8-2-1-7-20(21)23/h1-3,5,7-10,12,14,19H,4,6,11,13,15-18H2,(H,27,32)
Affinity DataKi:  20nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  24nMAssay Description:Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057749(CHEMBL3323019)
Show SMILES CN(C)Cc1c([nH]c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C29H40F3N7O/c1-28(2,3)27-35-23(29(30,31)32)18-24(36-27)39-16-14-38(15-17-39)13-9-8-12-33-26(40)25-21(19-37(4)5)20-10-6-7-11-22(20)34-25/h6-7,10-11,18,34H,8-9,12-17,19H2,1-5H3,(H,33,40)
Affinity DataKi:  25nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  27nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  27nMAssay Description:Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  29nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057785(CHEMBL3323001 | US9598387, Compound 118 | US996974...)
Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H27ClN6O/c26-19-6-7-20-21(17-19)27-10-8-23(20)31-15-13-30(14-16-31)11-4-2-9-28-25(33)22-18-32-12-3-1-5-24(32)29-22/h1,3,5-8,10,12,17-18H,2,4,9,11,13-16H2,(H,28,33)
Affinity DataKi:  29nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057764(CHEMBL3323115 | US9598387, Compound 108 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)C2CCN(CC2)c2ccccc2)CC1
Show InChI InChI=1S/C29H41F3N6O/c1-28(2,3)27-34-24(29(30,31)32)21-25(35-27)38-19-17-36(18-20-38)14-8-7-13-33-26(39)22-11-15-37(16-12-22)23-9-5-4-6-10-23/h4-6,9-10,21-22H,7-8,11-20H2,1-3H3,(H,33,39)
Affinity DataKi:  32nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057769(CHEMBL3323014)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3cccnc3s2)CC1
Show InChI InChI=1S/C25H31F3N6OS/c1-24(2,3)23-31-19(25(26,27)28)16-20(32-23)34-13-11-33(12-14-34)10-5-4-8-29-21(35)18-15-17-7-6-9-30-22(17)36-18/h6-7,9,15-16H,4-5,8,10-14H2,1-3H3,(H,29,35)
Affinity DataKi:  32nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057766(CHEMBL3323018)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2sc3ncccc3c2N)CC1
Show InChI InChI=1S/C25H32F3N7OS/c1-24(2,3)23-32-17(25(26,27)28)15-18(33-23)35-13-11-34(12-14-35)10-5-4-8-30-21(36)20-19(29)16-7-6-9-31-22(16)37-20/h6-7,9,15H,4-5,8,10-14,29H2,1-3H3,(H,30,36)
Affinity DataKi:  35nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057776(CHEMBL3323116 | US9598387, Compound 109 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C30H43F3N6O/c1-29(2,3)28-35-25(30(31,32)33)21-26(36-28)39-19-17-37(18-20-39)14-8-7-13-34-27(40)24-11-15-38(16-12-24)22-23-9-5-4-6-10-23/h4-6,9-10,21,24H,7-8,11-20,22H2,1-3H3,(H,34,40)
Affinity DataKi:  36nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  40nMAssay Description:Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057757(CHEMBL3323114 | US9598387, Compound 121 | US996974...)
Show SMILES CN(C)Cc1cccc2nc(cn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-34-22(28(29,30)31)17-24(35-26)38-15-13-37(14-16-38)12-7-6-11-32-25(40)21-19-39-20(18-36(4)5)9-8-10-23(39)33-21/h8-10,17,19H,6-7,11-16,18H2,1-5H3,(H,32,40)
Affinity DataKi:  44nMAssay Description:Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057765(CHEMBL3323113 | US9598387, Compound 119 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3c(CO)cccc3n2)CC1
Show InChI InChI=1S/C26H34F3N7O2/c1-25(2,3)24-32-20(26(27,28)29)15-22(33-24)35-13-11-34(12-14-35)10-5-4-9-30-23(38)19-16-36-18(17-37)7-6-8-21(36)31-19/h6-8,15-16,37H,4-5,9-14,17H2,1-3H3,(H,30,38)
Affinity DataKi:  45nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057753(CHEMBL3323112 | US9598387, Compound 120 | US996974...)
Show SMILES CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
Affinity DataKi:  72nMAssay Description:Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057784(CHEMBL3323002)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccc2ccccc2n1)c1cn2ccccc2n1
Show InChI InChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-23(31)28-22)26-12-4-6-13-29-15-17-30(18-16-29)24-11-10-20-7-1-2-8-21(20)27-24/h1-3,5,7-11,14,19H,4,6,12-13,15-18H2,(H,26,32)
Affinity DataKi:  77nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057783(CHEMBL3323004 | US9598387, Compound 123 | US996974...)
Show SMILES CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)c2ccccc2n1
Show InChI InChI=1S/C28H35N7O/c1-28(2,3)27-31-22-11-5-4-10-21(22)25(32-27)34-18-16-33(17-19-34)14-9-7-13-29-26(36)23-20-35-15-8-6-12-24(35)30-23/h4-6,8,10-12,15,20H,7,9,13-14,16-19H2,1-3H3,(H,29,36)
Affinity DataKi:  78nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057786(CHEMBL3323000 | US9598387, Compound 124 | US996974...)
Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C26H27F3N6O/c27-26(28,29)19-6-7-20-21(17-19)30-10-8-23(20)34-15-13-33(14-16-34)11-4-2-9-31-25(36)22-18-35-12-3-1-5-24(35)32-22/h1,3,5-8,10,12,17-18H,2,4,9,11,13-16H2,(H,31,36)
Affinity DataKi:  99nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057788(CHEMBL3322997)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C30H43N5O/c1-29(2,3)23-19-24(30(4,5)6)21-25(20-23)34-17-15-33(16-18-34)13-10-8-12-31-28(36)26-22-35-14-9-7-11-27(35)32-26/h7,9,11,14,19-22H,8,10,12-13,15-18H2,1-6H3,(H,31,36)
Affinity DataKi:  124nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057780(CHEMBL3323007 | US9598387, Compound 125 | US996974...)
Show SMILES Cc1nc(cc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H35N7O/c1-19-27-21(25(2,3)4)17-23(28-19)31-15-13-30(14-16-31)11-8-6-10-26-24(33)20-18-32-12-7-5-9-22(32)29-20/h5,7,9,12,17-18H,6,8,10-11,13-16H2,1-4H3,(H,26,33)
Affinity DataKi:  134nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057781(CHEMBL3323006)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33)
Affinity DataKi:  148nMAssay Description:Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting methodMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50057762(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
Affinity DataKi:  148nMAssay Description:Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamm...More data for this Ligand-Target Pair
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