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Compile Data Set for Download or QSAR

Found 199 hits from Centre de Recherches de Croissy   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
adrenergic Alpha2


(RAT)
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.159n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216892
PNG
(CHEMBL2112210)
Show SMILES Nc1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N
Show InChI InChI=1S/C29H30N4O2/c30-16-20-3-12-28-26(15-20)27-18-33(17-24(27)19-35-28)14-2-1-13-32-29(34)23-6-4-21(5-7-23)22-8-10-25(31)11-9-22/h3-12,15,24,27H,1-2,13-14,17-19,31H2,(H,32,34)/t24-,27+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM85672
PNG
(S33084)
Show SMILES O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.251n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.251n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.316n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM85672
PNG
(S33084)
Show SMILES O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
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0.316n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.346n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM85672
PNG
(S33084)
Show SMILES O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.562n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216985
PNG
(CHEMBL66080)
Show SMILES O=C(NCCCCN1C[C@H]2COc3ccc(cc3[C@@H]2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m0/s1
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0.631n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.631n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216869
PNG
(CHEMBL277790)
Show SMILES O=C(NCCCCN1CC2COc3ccc(cc3C2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)
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0.794n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216984
PNG
(CHEMBL434403)
Show SMILES CC(=O)c1ccc(cc1)C(=O)Nc1ccc(CCN2CC3COc4ccc(cc4C3C2)C#N)cc1
Show InChI InChI=1S/C29H27N3O3/c1-19(33)22-5-7-23(8-6-22)29(34)31-25-9-2-20(3-10-25)12-13-32-16-24-18-35-28-11-4-21(15-30)14-26(28)27(24)17-32/h2-11,14,24,27H,12-13,16-18H2,1H3,(H,31,34)
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0.794n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216872
PNG
(CHEMBL61565)
Show SMILES CC(=O)Nc1ccc(CCN2CC3COc4ccc(cc4C3C2)C#N)cc1
Show InChI InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)
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1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50240797
PNG
(6-((4-methoxyphenylsulfonyl)methyl)-N,N-dipropyl-1...)
Show SMILES CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
Show InChI InChI=1S/C24H33NO3S/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-29(26,27)24-12-10-23(28-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50342716
PNG
(CHEMBL418671 | N-(4-(2-((3aR,9bS)-8-cyano-1,3a,4,9...)
Show SMILES CC(=O)Nc1ccc(CCN2C[C@@H]3COc4ccc(cc4[C@H]3C2)C#N)cc1
Show InChI InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)/t18-,21+/m1/s1
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1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50240797
PNG
(6-((4-methoxyphenylsulfonyl)methyl)-N,N-dipropyl-1...)
Show SMILES CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
Show InChI InChI=1S/C24H33NO3S/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-29(26,27)24-12-10-23(28-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3
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1.35n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216868
PNG
(CHEMBL443006)
Show SMILES CS(=O)(=O)Nc1ccc(CCN2CC3COc4ccc(cc4C3C2)C#N)cc1
Show InChI InChI=1S/C21H23N3O3S/c1-28(25,26)23-18-5-2-15(3-6-18)8-9-24-12-17-14-27-21-7-4-16(11-22)10-19(21)20(17)13-24/h2-7,10,17,20,23H,8-9,12-14H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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2.00n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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2.04n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216893
PNG
(CHEMBL293159)
Show SMILES N#Cc1ccc2OC[C@H]3CN(Cc4ccccc4)C[C@@H]3c2c1
Show InChI InChI=1S/C19H18N2O/c20-9-15-6-7-19-17(8-15)18-12-21(11-16(18)13-22-19)10-14-4-2-1-3-5-14/h1-8,16,18H,10-13H2/t16-,18+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216867
PNG
(CHEMBL62823)
Show SMILES CC(=O)Nc1ccc(CCN2C[C@H]3COc4ccc(cc4[C@@H]3C2)C#N)cc1
Show InChI InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)/t18-,21+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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3.98n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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3.98n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216874
PNG
(CHEMBL302416)
Show SMILES N#Cc1ccc2OCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C19H18N2O/c20-9-15-6-7-19-17(8-15)18-12-21(11-16(18)13-22-19)10-14-4-2-1-3-5-14/h1-8,16,18H,10-13H2
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4n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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4.37n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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6.03n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216871
PNG
(CHEMBL305392)
Show SMILES N#Cc1ccc2CCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C20H20N2/c21-11-16-6-7-17-8-9-18-13-22(14-20(18)19(17)10-16)12-15-4-2-1-3-5-15/h1-7,10,18,20H,8-9,12-14H2
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6.30n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216865
PNG
(CHEMBL64157)
Show SMILES Fc1ccc(CN2C[C@@H]3COc4ccc(cc4[C@H]3C2)C#N)cc1
Show InChI InChI=1S/C19H17FN2O/c20-16-4-1-13(2-5-16)9-22-10-15-12-23-19-6-3-14(8-21)7-17(19)18(15)11-22/h1-7,15,18H,9-12H2/t15-,18+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216986
PNG
(CHEMBL294515)
Show SMILES N#Cc1ccc2OC[C@@H]3CN(Cc4ccccc4)C[C@H]3c2c1
Show InChI InChI=1S/C19H18N2O/c20-9-15-6-7-19-17(8-15)18-12-21(11-16(18)13-22-19)10-14-4-2-1-3-5-14/h1-8,16,18H,10-13H2/t16-,18+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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6.31n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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6.31n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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6.61n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216864
PNG
(CHEMBL64721)
Show SMILES Fc1ccc(CN2CC3COc4ccc(cc4C3C2)C#N)cc1
Show InChI InChI=1S/C19H17FN2O/c20-16-4-1-13(2-5-16)9-22-10-15-12-23-19-6-3-14(8-21)7-17(19)18(15)11-22/h1-7,15,18H,9-12H2
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7.90n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216866
PNG
(CHEMBL303979)
Show SMILES Fc1ccc2OCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C18H18FNO/c19-15-6-7-18-16(8-15)17-11-20(10-14(17)12-21-18)9-13-4-2-1-3-5-13/h1-8,14,17H,9-12H2
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7.90n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216871
PNG
(CHEMBL305392)
Show SMILES N#Cc1ccc2CCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C20H20N2/c21-11-16-6-7-17-8-9-18-13-22(14-20(18)19(17)10-16)12-15-4-2-1-3-5-15/h1-7,10,18,20H,8-9,12-14H2
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10n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D2 (hD2) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216873
PNG
(CHEMBL62416)
Show SMILES CC(=O)Nc1ccc(CN2C[C@@H]3COc4ccc(cc4[C@H]3C2)C#N)cc1
Show InChI InChI=1S/C21H21N3O2/c1-14(25)23-18-5-2-15(3-6-18)10-24-11-17-13-26-21-7-4-16(9-22)8-19(21)20(17)12-24/h2-8,17,20H,10-13H2,1H3,(H,23,25)/t17-,20+/m1/s1
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10n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216873
PNG
(CHEMBL62416)
Show SMILES CC(=O)Nc1ccc(CN2C[C@@H]3COc4ccc(cc4[C@H]3C2)C#N)cc1
Show InChI InChI=1S/C21H21N3O2/c1-14(25)23-18-5-2-15(3-6-18)10-24-11-17-13-26-21-7-4-16(9-22)8-19(21)20(17)12-24/h2-8,17,20H,10-13H2,1H3,(H,23,25)/t17-,20+/m1/s1
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13n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D2 (hD2) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216988
PNG
(CHEMBL65071)
Show SMILES CC(=O)Nc1ccc(CN2CC3COc4ccc(cc4C3C2)C#N)cc1
Show InChI InChI=1S/C21H21N3O2/c1-14(25)23-18-5-2-15(3-6-18)10-24-11-17-13-26-21-7-4-16(9-22)8-19(21)20(17)12-24/h2-8,17,20H,10-13H2,1H3,(H,23,25)
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13n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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15.1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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15.8n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216990
PNG
(CHEMBL291417)
Show SMILES Clc1ccc2OCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C18H18ClNO/c19-15-6-7-18-16(8-15)17-11-20(10-14(17)12-21-18)9-13-4-2-1-3-5-13/h1-8,14,17H,9-12H2
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16n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216890
PNG
(CHEMBL418321)
Show SMILES Brc1ccc2OCC3CN(Cc4ccccc4)CC3c2c1
Show InChI InChI=1S/C18H18BrNO/c19-15-6-7-18-16(8-15)17-11-20(10-14(17)12-21-18)9-13-4-2-1-3-5-13/h1-8,14,17H,9-12H2
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16n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216870
PNG
(CHEMBL65122)
Show SMILES Fc1ccc(CN2C[C@H]3COc4ccc(cc4[C@@H]3C2)C#N)cc1
Show InChI InChI=1S/C19H17FN2O/c20-16-4-1-13(2-5-16)9-22-10-15-12-23-19-6-3-14(8-21)7-17(19)18(15)11-22/h1-7,15,18H,9-12H2/t15-,18+/m0/s1
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16n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216875
PNG
(CHEMBL436157)
Show SMILES CCCN1CC2COc3ccc(cc3C2C1)C#N
Show InChI InChI=1S/C15H18N2O/c1-2-5-17-8-12-10-18-15-4-3-11(7-16)6-13(15)14(12)9-17/h3-4,6,12,14H,2,5,8-10H2,1H3
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16n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by ChEMBL


Assay Description
Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.


Bioorg Med Chem Lett 9: 2059-64 (1999)


Article DOI: 10.1016/s0960-894x(99)00312-1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
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19.5n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
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