Compile Data Set for Download or QSAR
Found 1269 with Last Name = 'heffner' and Initial = 't'
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50063292(CHEMBL349426 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)/t21-,22-
Affinity DataKi:  0.0200nMAssay Description:Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cellsMore data for this Ligand-Target Pair
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50286859(2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-(S)-2,6-diamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-33(40(54)55)21-25(2)3)48-36(50)32(22-27-23-44-30-15-7-6-14-29(27)30)46-37(51)34-17-12-20-49(34)39(53)31(16-9-11-19-42)45-24-28(43)13-8-10-18-41/h6-7,14-15,23,25-26,28,31-35,44-45H,5,8-13,16-22,24,41-43H2,1-4H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t26-,28-,31-,32-,33-,34+,35-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

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
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50240339((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-5-g...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)50-37(56)33(41(3,4)5)51-35(54)30(22-25-23-47-27-14-8-7-13-26(25)27)49-36(55)32-17-12-20-52(32)38(57)29(15-9-10-18-42)48-34(53)28(45-6)16-11-19-46-40(43)44/h7-8,13-14,23-24,28-33,45,47H,9-12,15-22,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,46)/t28-,29-,30-,31-,32-,33+/m0/s1
Affinity DataKi:  0.0640nMAssay Description:Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administrationMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.0700nMAssay Description:Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary glandMore data for this Ligand-Target Pair
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50286864((S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Guanidino-2-(3-guan...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=N)CCCNC(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H61N11O6/c1-22(2)19-28(35(54)55)47-33(52)30(38(3,4)5)48-31(50)27(20-24-21-45-26-14-7-6-13-25(24)26)46-32(51)29-15-10-18-49(29)34(53)23(11-8-16-43-36(39)40)12-9-17-44-37(41)42/h6-7,13-14,21-23,27-30,45H,8-12,15-20H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
Affinity DataKi:  0.100nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50010621(6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3
Affinity DataKi:  0.140nMAssay 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(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50063279(CHEMBL309623 | Cyclohexanecarboxylic acid {4-[2-(4...)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)C1CCCCC1
Show InChI InChI=1S/C25H39N3O/c29-25(22-7-3-1-4-8-22)26-23-13-11-21(12-14-23)15-16-27-17-19-28(20-18-27)24-9-5-2-6-10-24/h2,5-6,9-10,21-23H,1,3-4,7-8,11-20H2,(H,26,29)/t21-,23-
Affinity DataKi:  0.140nMAssay Description:Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.150nMAssay Description:Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liverMore data for this Ligand-Target Pair
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50366427(CHEMBL1793865)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32+,33-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50048302(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50020217((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
Affinity DataKi:  0.210nMAssay Description:Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

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

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

Curated by ChEMBL
LigandPNGBDBM50052535(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1cccc(c1)C#CCCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C21H22N2/c22-21-11-6-8-18(17-21)7-4-5-14-23-15-12-20(13-16-23)19-9-2-1-3-10-19/h1-3,6,8-12,17H,5,13-16,22H2
Affinity DataKi:  0.360nMAssay Description:Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligandMore data for this Ligand-Target Pair
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50286868((1S,2S,4S)-2-{2-[(S)-2-({1-[6-Amino-2-(2,6-diamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H66N8O7/c1-24(2)21-30(37(52)53)44-35(50)32(38(3,4)5)45-33(48)29(22-25-14-16-27(47)17-15-25)43-34(49)31-13-10-20-46(31)36(51)28(12-7-9-19-40)42-23-26(41)11-6-8-18-39/h14-17,24,26,28-32,42,47H,6-13,18-23,39-41H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t26-,28-,29-,30-,31+,32+/m0/s1
Affinity DataKi:  0.400nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50002173(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
Affinity DataKi:  0.400nMAssay Description:Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligandMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281503(4-{4-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...)
Show SMILES COc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-24-21-7-5-19(6-8-21)20-11-16-23(17-12-20)15-3-2-4-18-9-13-22-14-10-18/h5-11,13-14H,2-4,12,15-17H2,1H3
Affinity DataKi:  0.450nMAssay Description:Binding affinity against sigma receptor in guinea pig brain preparation was estimated using [3H]-3-PPP as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061351((3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine | CH...)
Show SMILES Cc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C18H23NO2/c1-16-7-5-10-18(15-16)21-14-12-19-11-6-13-20-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3
Affinity DataKi:  0.460nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
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 DataKi:  0.5nMAssay 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))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Affinity DataKi:  0.5nMAssay Description:Tested for binding affinity towards human D2L receptor using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50063281((4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}...)
Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1
Show InChI InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)/t19-,20-
Affinity DataKi:  0.5nMAssay Description:The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50054070(6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...)
Show SMILES CCCNC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3
Affinity DataKi:  0.5nMAssay 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(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061332((3-Phenoxy-propyl)-(2-p-tolyloxy-ethyl)-amine | CH...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)21-15-13-19-12-5-14-20-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3
Affinity DataKi:  0.520nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061334(CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3
Affinity DataKi:  0.520nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50048302(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
Affinity DataKi:  0.520nMAssay Description:Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperoneMore data for this Ligand-Target Pair
TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
Affinity DataKi:  0.520nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061339(CHEMBL132884 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNO2/c18-15-7-9-17(10-8-15)21-14-12-19-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-14H2
Affinity DataKi:  0.530nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50115277((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
Affinity DataKi:  0.540nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
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 DataKi:  0.570nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50020221((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
Affinity DataKi:  0.660nMAssay Description:In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054077(7-Propylamino-5,6,7,8-tetrahydro-naphthalen-2-ol |...)
Show SMILES CCCNC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-12-5-3-10-4-6-13(15)9-11(10)8-12/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3
Affinity DataKi:  0.660nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50054075(7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
Affinity DataKi:  0.670nMAssay 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(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50052531(4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2
Affinity DataKi:  0.670nMAssay Description:Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assayMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Affinity DataKi:  0.690nMAssay Description:Tested for binding affinity towards human D3 receptor using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054069(7-(Ethyl-methyl-amino)-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-3-14(2)12-6-4-10-5-7-13(15)9-11(10)8-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3
Affinity DataKi:  0.710nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054075(7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
Affinity DataKi:  0.740nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054082(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
Affinity DataKi:  0.75nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054070(6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...)
Show SMILES CCCNC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3
Affinity DataKi:  0.75nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50054082(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
Affinity DataKi:  0.760nMAssay 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(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061329((3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-ami...)
Show SMILES Cc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C18H23NOS/c1-16-8-10-17(11-9-16)20-14-13-19-12-5-15-21-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-15H2,1H3
Affinity DataKi:  0.800nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50063291(CHEMBL78791 | Thiophene-2-carboxylic acid {4-[2-(4...)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1cccs1
Show InChI InChI=1S/C23H31N3OS/c27-23(22-7-4-18-28-22)24-20-10-8-19(9-11-20)12-13-25-14-16-26(17-15-25)21-5-2-1-3-6-21/h1-7,18-20H,8-17H2,(H,24,27)/t19-,20-
Affinity DataKi:  0.800nMAssay Description:Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061330(CHEMBL129757 | [2-(4-Chloro-phenoxy)-ethyl]-[3-(4-...)
Show SMILES Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClFNO2/c18-14-2-6-16(7-3-14)22-13-11-20-10-1-12-21-17-8-4-15(19)5-9-17/h2-9,20H,1,10-13H2
Affinity DataKi:  0.840nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50032644(CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...)
Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1
Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)
Affinity DataKi:  0.870nMAssay Description:In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM85093(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  0.910nMAssay Description:In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells by [3H]spiperone displacement.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM85093(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Affinity DataKi:  0.910nMAssay Description:Binding affinity at Dopamine receptor D4 in CHO cells by radioligand displacement.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061325(CHEMBL131357 | [3-(4-Fluoro-phenoxy)-propyl]-(2-p-...)
Show SMILES Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H22FNO2/c1-15-3-7-17(8-4-15)22-14-12-20-11-2-13-21-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3
Affinity DataKi:  0.960nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281500(4-{4-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCc2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN2/c21-20-6-4-18(5-7-20)19-10-15-23(16-11-19)14-2-1-3-17-8-12-22-13-9-17/h4-10,12-13H,1-3,11,14-16H2
Affinity DataKi:  1.04nMAssay Description:Binding affinity against sigma receptor in guinea pig brain preparation was estimated using [3H]-3-PPP as radioligandMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50061324((2-p-Tolyloxy-ethyl)-(3-o-tolyloxy-propyl)-amine |...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3
Affinity DataKi:  1.10nMAssay Description:Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperoneMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50369174(CHEMBL94015 | PD-128907)
Show SMILES CCCN1COC[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.More data for this Ligand-Target Pair
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