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Compile Data Set for Download or QSAR

Found 861 hits with Last Name = 'nelson' and Initial = 'a'   
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81768
PNG
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)
Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
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0.0400n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
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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0.0900n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
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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0.110n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.160n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.170n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081112
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES O=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3O2/c20-16-18-13-7-4-8-14(15(13)19-16)21-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,20)
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0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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0.180n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081107
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=S)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3OS/c17-12-8-13-15(20-16(22)19-13)14(9-12)21-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,22)
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0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50077578
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one |...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17-11-14-15(19-17)7-4-8-16(14)21-10-9-18-12-13-5-2-1-3-6-13/h1-8,18H,9-12H2,(H,19,20)
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0.210n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081106
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-8-13-15(20-16(21)19-13)14(9-12)22-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,21)
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0.25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78576
PNG
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
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0.450n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071855
PNG
(4-(4-Benzyl-piperazin-1-yl)-2-trifluoromethyl-1H-b...)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)
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0.510n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]-quinpirole


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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0.560n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]-quinpirole


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081105
PNG
(Benzyl-[2-(6-chloro-2-trifluoromethyl-1H-benzoimid...)
Show SMILES FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C17H15ClF3N3O/c18-12-8-13-15(24-16(23-13)17(19,20)21)14(9-12)25-7-6-22-10-11-4-2-1-3-5-11/h1-5,8-9,22H,6-7,10H2,(H,23,24)
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0.710n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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0.800n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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0.950n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091825
PNG
(8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,...)
Show SMILES Clc1cc2NCC3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081109
PNG
(Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine | CHEM...)
Show SMILES C(COc1cccc2[nH]ncc12)NCc1ccccc1
Show InChI InChI=1S/C16H17N3O/c1-2-5-13(6-3-1)11-17-9-10-20-16-8-4-7-15-14(16)12-18-19-15/h1-8,12,17H,9-11H2,(H,18,19)
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1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.20n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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1.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130273
PNG
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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1.40n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071858
PNG
(4-(4-Benzyl-piperazin-1-yl)-5-chloro-1H-indole | C...)
Show SMILES Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20ClN3/c20-17-6-7-18-16(8-9-21-18)19(17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
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1.70n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50131440
PNG
(10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulf...)
Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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1.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inihibition of [3H]-spiperone binding to human Dopamine receptor D2 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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1.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1.96n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM67545
PNG
(N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;h...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50131440
PNG
(10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulf...)
Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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2n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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2.5n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071853
PNG
(4-(4-Benzyl-piperazin-1-yl)-7-bromo-1H-indole | CH...)
Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c12
Show InChI InChI=1S/C19H20BrN3/c20-17-6-7-18(16-8-9-21-19(16)17)23-12-10-22(11-13-23)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
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2.60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50081106
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-8-13-15(20-16(21)19-13)14(9-12)22-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,21)
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2.60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inihibition of [3H]-spiperone binding to human Dopamine receptor D2 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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2.60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50081106
PNG
(4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benz...)
Show SMILES Clc1cc(OCCNCc2ccccc2)c2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C16H16ClN3O2/c17-12-8-13-15(20-16(21)19-13)14(9-12)22-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,21)
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2.70n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50077578
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one |...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17-11-14-15(19-17)7-4-8-16(14)21-10-9-18-12-13-5-2-1-3-6-13/h1-8,18H,9-12H2,(H,19,20)
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2.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D3 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071855
PNG
(4-(4-Benzyl-piperazin-1-yl)-2-trifluoromethyl-1H-b...)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)
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2.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50071856
PNG
(4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-on...)
Show SMILES O=C1Cc2c(N1)cccc2N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H21N3O/c23-19-13-16-17(20-19)7-4-8-18(16)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,20,23)
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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50081108
PNG
(4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol...)
Show SMILES S=c1[nH]c2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C16H17N3OS/c21-16-18-13-7-4-8-14(15(13)19-16)20-10-9-17-11-12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H2,18,19,21)
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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inihibition of [3H]-spiperone binding to human Dopamine receptor D2 in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091831
PNG
((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...)
Show SMILES Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptami...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50081110
PNG
(Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yl...)
Show SMILES FC(F)(F)c1nc2cccc(OCCNCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)16-22-13-7-4-8-14(15(13)23-16)24-10-9-21-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,22,23)
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3.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D4.4 expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2593-8 (1999)


BindingDB Entry DOI: 10.7270/Q22V2FBG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071857
PNG
(4-(4-Benzyl-piperazin-1-yl)-1H-indole | CHEMBL3280...)
Show SMILES C(N1CCN(CC1)c1cccc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C19H21N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-10,20H,11-15H2
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3.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]-quinpirole


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50071855
PNG
(4-(4-Benzyl-piperazin-1-yl)-2-trifluoromethyl-1H-b...)
Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)18-23-15-7-4-8-16(17(15)24-18)26-11-9-25(10-12-26)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)
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3.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was determined for low agonist state in rat striatal membranes using [3H]...


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
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