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Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'akunne' and Initial = 'h'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor


(Homo sapiens (Human))
BDBM50290221
PNG
(CHEMBL80919 | Thiophene-2-carboxylic acid (4-{2-[4...)
Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccs3)CC2)c1Cl
Show InChI InChI=1S/C23H29Cl2N3OS/c24-19-3-1-4-20(22(19)25)28-14-12-27(13-15-28)11-10-17-6-8-18(9-7-17)26-23(29)21-5-2-16-30-21/h1-5,16-18H,6-15H2,(H,26,29)/t17-,18-
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0.0200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50063292
PNG
(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-
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0.0200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286859
PNG
(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
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50123626
PNG
((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
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0.0600n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50240339
PNG
((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
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0.0640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administration


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(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)
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0.0700n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343274
PNG
(7-(4-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperaz...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1
Show InChI InChI=1S/C26H34N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h5,7,9,11,13H,1-4,6,8,10,12,14-19H2,(H,27,28,31)
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0.0900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286864
PNG
((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
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343260
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)
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0.130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343277
PNG
(7-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)-3,...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1
Show InChI InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)
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0.140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50063279
PNG
(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-
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0.140n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010621
PNG
(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
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0.140n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50063279
PNG
(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-
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0.140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50366427
PNG
(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
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM29568
PNG
(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)
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0.150n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liver


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343273
PNG
(7-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1
Show InChI InChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30)
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0.160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343276
PNG
(7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-d...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1
Show InChI InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)
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0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343283
PNG
(7-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)bu...)
Show SMILES Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1
Show InChI InChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM21398
PNG
(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
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0.330n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343268
PNG
(7-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butoxy)...)
Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C
Show InChI InChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29)
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0.350n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50052535
PNG
(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
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0.360n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286868
PNG
((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
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50002173
PNG
(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
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0.400n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(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
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0.440n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2


J Med Chem 36: 3929-36 (1994)


Article DOI: 10.1021/jm00076a022
BindingDB Entry DOI: 10.7270/Q2C828CS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343266
PNG
(7-(4-(4-(2-chloro-3-methylphenyl)piperazin-1-yl)bu...)
Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50063281
PNG
((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-
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0.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay 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...


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((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
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0.5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054070
PNG
(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
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0.5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((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
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50290206
PNG
(CHEMBL78800 | Thiophene-2-carboxylic acid (4-{2-[4...)
Show SMILES Clc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1
Show InChI InChI=1S/C23H30ClN3OS/c24-20-4-1-2-5-21(20)27-15-13-26(14-16-27)12-11-18-7-9-19(10-8-18)25-23(28)22-6-3-17-29-22/h1-6,17-19H,7-16H2,(H,25,28)/t18-,19-
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50240845
PNG
((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
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50115277
PNG
((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
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0.540n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((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
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0.570n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50290225
PNG
(CHEMBL78950 | Thiophene-2-carboxylic acid (4-{2-[4...)
Show SMILES COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-29-22-6-3-2-5-21(22)27-16-14-26(15-17-27)13-12-19-8-10-20(11-9-19)25-24(28)23-7-4-18-30-23/h2-7,18-20H,8-17H2,1H3,(H,25,28)/t19-,20-
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50290221
PNG
(CHEMBL80919 | Thiophene-2-carboxylic acid (4-{2-[4...)
Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccs3)CC2)c1Cl
Show InChI InChI=1S/C23H29Cl2N3OS/c24-19-3-1-4-20(22(19)25)28-14-12-27(13-15-28)11-10-17-6-8-18(9-7-17)26-23(29)21-5-2-16-30-21/h1-5,16-18H,6-15H2,(H,26,29)/t17-,18-
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((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
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054077
PNG
(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
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0.660n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054075
PNG
(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
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0.670n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343284
PNG
(7-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
Show InChI InChI=1S/C26H29FN4O2/c27-21-7-3-5-19-6-4-8-22(25(19)21)31-16-14-30(15-17-31)13-1-2-18-33-24-12-10-20-9-11-23(32)28-26(20)29-24/h3-8,10,12H,1-2,9,11,13-18H2,(H,28,29,32)
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0.670n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052531
PNG
(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
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0.670n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343276
PNG
(7-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)-3,4-d...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1
Show InChI InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)
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0.710n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054069
PNG
(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
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0.710n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054075
PNG
(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
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0.740n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(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
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0.75n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50054070
PNG
(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
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0.75n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(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
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0.760n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50343284
PNG
(7-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)bu...)
Show SMILES Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
Show InChI InChI=1S/C26H29FN4O2/c27-21-7-3-5-19-6-4-8-22(25(19)21)31-16-14-30(15-17-31)13-1-2-18-33-24-12-10-20-9-11-23(32)28-26(20)29-24/h3-8,10,12H,1-2,9,11,13-18H2,(H,28,29,32)
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0.770n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50343275
PNG
(7-(4-(4-(chroman-5-yl)piperazin-1-yl)butoxy)-3,4-d...)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCCc34)nc2N1
Show InChI InChI=1S/C25H32N4O3/c30-23-10-8-19-9-11-24(27-25(19)26-23)32-17-2-1-12-28-13-15-29(16-14-28)21-6-3-7-22-20(21)5-4-18-31-22/h3,6-7,9,11H,1-2,4-5,8,10,12-18H2,(H,26,27,30)
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0.780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50343259
PNG
(7-(5-(4-(2,3-dichlorophenyl)piperazin-1-yl)pentyl)...)
Show SMILES Clc1cccc(N2CCN(CCCCCc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O/c24-19-6-4-7-20(22(19)25)29-15-13-28(14-16-29)12-3-1-2-5-18-10-8-17-9-11-21(30)27-23(17)26-18/h4,6-8,10H,1-3,5,9,11-16H2,(H,26,27,30)
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0.790n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50063291
PNG
(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-
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0.800n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair
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