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Compile Data Set for Download or QSAR

Found 1028 hits from Aptuit s.r.l   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192240
PNG
(CHEMBL3941818 | US10239870, Example 278)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/s2
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0.0676n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192240
PNG
(CHEMBL3941818 | US10239870, Example 278)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/s2
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0.0700n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192317
PNG
(CHEMBL3899125 | US10239870, Example 281)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-3-18(4-6-19)22(30)35)31-32-24(33)36-14-2-12-34-13-11-25(16-34)15-21(25)17-7-9-20(10-8-17)26(27,28)29/h3-10,21H,2,11-16H2,1H3,(H2,30,35)/t21-,25+/s2
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0.158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192319
PNG
(CHEMBL3920167 | US10239870, Example 279)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-4-2-5-21(16-20)25-32-11-14-37-25)33-34-26(35)38-15-3-12-36-13-10-27(18-36)17-23(27)19-6-8-22(9-7-19)28(29,30)31/h2,4-9,11,14,16,23H,3,10,12-13,15,17-18H2,1H3/t23-,27+/s2
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0.182n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192240
PNG
(CHEMBL3941818 | US10239870, Example 278)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/s2
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0.191n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154896
PNG
(CHEMBL3774462 | US10273244, Example 51)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCC1
Show InChI InChI=1/C24H32F3N5S/c1-30-22(17-5-2-3-6-17)28-29-23(30)33-14-4-12-31-15-18-11-13-32(21(18)16-31)20-9-7-19(8-10-20)24(25,26)27/h7-10,17-18,21H,2-6,11-16H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154890
PNG
(CHEMBL3774425 | US10273244, Example 113)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(c2)C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1/C23H26F3N7S/c1-31-21(19-13-27-7-8-28-19)29-30-22(31)34-11-3-9-32-14-16-6-10-33(20(16)15-32)18-5-2-4-17(12-18)23(24,25)26/h2,4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154898
PNG
(CHEMBL3774431 | US10273244, Example 61)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCCCC1
Show InChI InChI=1/C24H34FN5S/c1-28-23(18-6-3-2-4-7-18)26-27-24(28)31-15-5-13-29-16-19-12-14-30(22(19)17-29)21-10-8-20(25)9-11-21/h8-11,18-19,22H,2-7,12-17H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192318
PNG
(CHEMBL3979523 | US10239870, Example 284)
Show SMILES CC(=O)c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C27H29F3N4OS/c1-18(35)19-4-6-21(7-5-19)24-31-32-25(33(24)2)36-15-3-13-34-14-12-26(17-34)16-23(26)20-8-10-22(11-9-20)27(28,29)30/h4-11,23H,3,12-17H2,1-2H3/t23-,26+/s2
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0.209n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192449
PNG
(CHEMBL3950540 | US10239870, Example 283)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C#N
Show InChI InChI=1/C26H26F3N5S/c1-33-23(20-5-3-18(16-30)4-6-20)31-32-24(33)35-14-2-12-34-13-11-25(17-34)15-22(25)19-7-9-21(10-8-19)26(27,28)29/h3-10,22H,2,11-15,17H2,1H3/t22-,25+/s2
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0.263n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192333
PNG
(CHEMBL3958201 | US10239870, Example 97)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24+/s2
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0.275n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192445
PNG
(CHEMBL3959240 | US10239870, Example 285)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C25H28F3N5O2S2/c1-32-22(18-5-9-20(10-6-18)37(29,34)35)30-31-23(32)36-14-2-12-33-13-11-24(16-33)15-21(24)17-3-7-19(8-4-17)25(26,27)28/h3-10,21H,2,11-16H2,1H3,(H2,29,34,35)/t21-,24+/s2
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0.316n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154878
PNG
(CHEMBL3774895 | US10273244, Example 114)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2cccc(OC(F)(F)F)c2)nnc1-c1cnccn1
Show InChI InChI=1/C23H26F3N7OS/c1-31-21(19-13-27-7-8-28-19)29-30-22(31)35-11-3-9-32-14-16-6-10-33(20(16)15-32)17-4-2-5-18(12-17)34-23(24,25)26/h2,4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1H3
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0.316n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154852
PNG
(CHEMBL3775737 | US10273244, Example 41)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCOCC1
Show InChI InChI=1/C23H32FN5OS/c1-27-22(17-8-12-30-13-9-17)25-26-23(27)31-14-2-10-28-15-18-7-11-29(21(18)16-28)20-5-3-19(24)4-6-20/h3-6,17-18,21H,2,7-16H2,1H3
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0.316n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192238
PNG
(CHEMBL3926847)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C
Show InChI InChI=1/C22H25F2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-9-3-7-29-8-6-22(12-29)11-17(22)16-5-4-15(23)10-18(16)24/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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0.331n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192023
PNG
(CHEMBL3950254 | US10239870, Example 184)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(17-5-8-20(21(29)35)30-14-17)31-32-23(33)36-12-2-10-34-11-9-24(15-34)13-19(24)16-3-6-18(7-4-16)25(26,27)28/h3-8,14,19H,2,9-13,15H2,1H3,(H2,29,35)/t19-,24+/s2
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0.339n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192333
PNG
(CHEMBL3958201 | US10239870, Example 97)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24+/s2
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0.355n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192319
PNG
(CHEMBL3920167 | US10239870, Example 279)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)-c1ncco1
Show InChI InChI=1/C28H28F3N5OS/c1-35-24(20-4-2-5-21(16-20)25-32-11-14-37-25)33-34-26(35)38-15-3-12-36-13-10-27(18-36)17-23(27)19-6-8-22(9-7-19)28(29,30)31/h2,4-9,11,14,16,23H,3,10,12-13,15,17-18H2,1H3/t23-,27+/s2
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0.363n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192317
PNG
(CHEMBL3899125 | US10239870, Example 281)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-3-18(4-6-19)22(30)35)31-32-24(33)36-14-2-12-34-13-11-25(16-34)15-21(25)17-7-9-20(10-8-17)26(27,28)29/h3-10,21H,2,11-16H2,1H3,(H2,30,35)/t21-,25+/s2
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0.389n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154852
PNG
(CHEMBL3775737 | US10273244, Example 41)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCOCC1
Show InChI InChI=1/C23H32FN5OS/c1-27-22(17-8-12-30-13-9-17)25-26-23(27)31-14-2-10-28-15-18-7-11-29(21(18)16-28)20-5-3-19(24)4-6-20/h3-6,17-18,21H,2,7-16H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154852
PNG
(CHEMBL3775737 | US10273244, Example 41)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCOCC1
Show InChI InChI=1/C23H32FN5OS/c1-27-22(17-8-12-30-13-9-17)25-26-23(27)31-14-2-10-28-15-18-7-11-29(21(18)16-28)20-5-3-19(24)4-6-20/h3-6,17-18,21H,2,7-16H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154896
PNG
(CHEMBL3774462 | US10273244, Example 51)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCC1
Show InChI InChI=1/C24H32F3N5S/c1-30-22(17-5-2-3-6-17)28-29-23(30)33-14-4-12-31-15-18-11-13-32(21(18)16-31)20-9-7-19(8-10-20)24(25,26)27/h7-10,17-18,21H,2-6,11-16H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154894
PNG
(CHEMBL3775338 | US10273244, Example 28)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cc(Cl)cc(Cl)c2)n1C
Show InChI InChI=1/C22H26Cl2N6OS/c1-14-20(31-13-25-14)21-26-27-22(28(21)2)32-7-3-5-29-11-15-4-6-30(19(15)12-29)18-9-16(23)8-17(24)10-18/h8-10,13,15,19H,3-7,11-12H2,1-2H3
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0.398n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192308
PNG
(CHEMBL3983121)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3cc(Cl)cc(Cl)c3)C2)n1C
Show InChI InChI=1/C22H25Cl2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-7-3-5-29-6-4-22(12-29)11-18(22)15-8-16(23)10-17(24)9-15/h8-10,13,18H,3-7,11-12H2,1-2H3/t18-,22-/s2
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0.417n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192100
PNG
(CHEMBL3955505 | US10239870, Example 29)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-17(22)16-5-4-15(10-18(16)24)23(25,26)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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0.417n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192030
PNG
(CHEMBL3970323 | US10239870, Example 289)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-2-4-18(14-19)22(30)35)31-32-24(33)36-13-3-11-34-12-10-25(16-34)15-21(25)17-6-8-20(9-7-17)26(27,28)29/h2,4-9,14,21H,3,10-13,15-16H2,1H3,(H2,30,35)/t21-,25+/s2
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0.468n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192023
PNG
(CHEMBL3950254 | US10239870, Example 184)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1/C25H27F3N6OS/c1-33-22(17-5-8-20(21(29)35)30-14-17)31-32-23(33)36-12-2-10-34-11-9-24(15-34)13-19(24)16-3-6-18(7-4-16)25(26,27)28/h3-8,14,19H,2,9-13,15H2,1H3,(H2,29,35)/t19-,24+/s2
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0.525n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192245
PNG
(CHEMBL3963783)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C
Show InChI InChI=1/C22H26FN5OS/c1-15-19(29-14-24-15)20-25-26-21(27(20)2)30-11-3-9-28-10-8-22(13-28)12-18(22)16-4-6-17(23)7-5-16/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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0.525n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192251
PNG
(CHEMBL3976319)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccs1
Show InChI InChI=1/C23H25F3N4S2/c1-29-20(19-4-2-12-31-19)27-28-21(29)32-13-3-10-30-11-9-22(15-30)14-18(22)16-5-7-17(8-6-16)23(24,25)26/h2,4-8,12,18H,3,9-11,13-15H2,1H3/t18-,22+/s2
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0.537n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/s2
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0.550n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192030
PNG
(CHEMBL3970323 | US10239870, Example 289)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O
Show InChI InChI=1/C26H28F3N5OS/c1-33-23(19-5-2-4-18(14-19)22(30)35)31-32-24(33)36-13-3-11-34-12-10-25(16-34)15-21(25)17-6-8-20(9-7-17)26(27,28)29/h2,4-9,14,21H,3,10-13,15-16H2,1H3,(H2,30,35)/t21-,25+/s2
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0.562n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192100
PNG
(CHEMBL3955505 | US10239870, Example 29)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-17(22)16-5-4-15(10-18(16)24)23(25,26)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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0.575n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192450
PNG
(CHEMBL3896638)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccsc1
Show InChI InChI=1/C23H25F3N4S2/c1-29-20(17-7-12-31-14-17)27-28-21(29)32-11-2-9-30-10-8-22(15-30)13-19(22)16-3-5-18(6-4-16)23(24,25)26/h3-7,12,14,19H,2,8-11,13,15H2,1H3/t19-,22+/s2
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0.575n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192251
PNG
(CHEMBL3976319)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccs1
Show InChI InChI=1/C23H25F3N4S2/c1-29-20(19-4-2-12-31-19)27-28-21(29)32-13-3-10-30-11-9-22(15-30)14-18(22)16-5-7-17(8-6-16)23(24,25)26/h2,4-8,12,18H,3,9-11,13-15H2,1H3/t18-,22+/s2
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0.603n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192246
PNG
(CHEMBL3935692)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-3-9-31-10-8-22(13-31)12-18(22)16-4-6-17(7-5-16)23(24,25)26/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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0.631n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154895
PNG
(CHEMBL3775534 | US10273244, Example 7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(c2)C#N)n1C
Show InChI InChI=1/C23H27N7OS/c1-16-21(31-15-25-16)22-26-27-23(28(22)2)32-10-4-8-29-13-18-7-9-30(20(18)14-29)19-6-3-5-17(11-19)12-24/h3,5-6,11,15,18,20H,4,7-10,13-14H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192024
PNG
(CHEMBL3941520 | US10239870, Example 187)
Show SMILES Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(N)=O
Show InChI InChI=1/C26H29F3N6OS/c1-16-19(8-9-21(31-16)22(30)36)23-32-33-24(34(23)2)37-13-3-11-35-12-10-25(15-35)14-20(25)17-4-6-18(7-5-17)26(27,28)29/h4-9,20H,3,10-15H2,1-2H3,(H2,30,36)/t20-,25+/s2
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0.676n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192246
PNG
(CHEMBL3935692)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-3-9-31-10-8-22(13-31)12-18(22)16-4-6-17(7-5-16)23(24,25)26/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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0.724n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192320
PNG
(CHEMBL3946901)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccccn1
Show InChI InChI=1/C24H26F3N5S/c1-31-21(20-5-2-3-11-28-20)29-30-22(31)33-14-4-12-32-13-10-23(16-32)15-19(23)17-6-8-18(9-7-17)24(25,26)27/h2-3,5-9,11,19H,4,10,12-16H2,1H3/t19-,23+/s2
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154850
PNG
(CHEMBL3774588 | US10273244, Example 22)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)n1C
Show InChI InChI=1/C22H27FN6OS/c1-15-20(30-14-24-15)21-25-26-22(27(21)2)31-11-3-9-28-12-16-8-10-29(19(16)13-28)18-6-4-17(23)5-7-18/h4-7,14,16,19H,3,8-13H2,1-2H3
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192320
PNG
(CHEMBL3946901)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccccn1
Show InChI InChI=1/C24H26F3N5S/c1-31-21(20-5-2-3-11-28-20)29-30-22(31)33-14-4-12-32-13-10-23(16-32)15-19(23)17-6-8-18(9-7-17)24(25,26)27/h2-3,5-9,11,19H,4,10,12-16H2,1H3/t19-,23+/s2
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154898
PNG
(CHEMBL3774431 | US10273244, Example 61)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1C1CCCCC1
Show InChI InChI=1/C24H34FN5S/c1-28-23(18-6-3-2-4-7-18)26-27-24(28)31-15-5-13-29-16-19-12-14-30(22(19)17-29)21-10-8-20(25)9-11-21/h8-11,18-19,22H,2-7,12-17H2,1H3
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154877
PNG
(CHEMBL3774621 | US10273244, Example 96)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2OC(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1/C23H26F3N7OS/c1-31-21(17-13-27-8-9-28-17)29-30-22(31)35-12-4-10-32-14-16-7-11-33(19(16)15-32)18-5-2-3-6-20(18)34-23(24,25)26/h2-3,5-6,8-9,13,16,19H,4,7,10-12,14-15H2,1H3
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154896
PNG
(CHEMBL3774462 | US10273244, Example 51)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCC1
Show InChI InChI=1/C24H32F3N5S/c1-30-22(17-5-2-3-6-17)28-29-23(30)33-14-4-12-31-15-18-11-13-32(21(18)16-31)20-9-7-19(8-10-20)24(25,26)27/h7-10,17-18,21H,2-6,11-16H2,1H3
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0.794n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192238
PNG
(CHEMBL3926847)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C
Show InChI InChI=1/C22H25F2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-9-3-7-29-8-6-22(12-29)11-17(22)16-5-4-15(23)10-18(16)24/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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0.813n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192315
PNG
(CHEMBL3981856 | US10239870, Example 287)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC(N)=O)cc1
Show InChI InChI=1/C27H30F3N5OS/c1-34-24(20-5-3-18(4-6-20)15-23(31)36)32-33-25(34)37-14-2-12-35-13-11-26(17-35)16-22(26)19-7-9-21(10-8-19)27(28,29)30/h3-10,22H,2,11-17H2,1H3,(H2,31,36)/t22-,26+/s2
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0.851n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192245
PNG
(CHEMBL3963783)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C
Show InChI InChI=1/C22H26FN5OS/c1-15-19(29-14-24-15)20-25-26-21(27(20)2)30-11-3-9-28-10-8-22(13-28)12-18(22)16-4-6-17(23)7-5-16/h4-7,14,18H,3,8-13H2,1-2H3/t18-,22+/s2
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0.912n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192035
PNG
(CHEMBL3899336)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)n1C
Show InChI InChI=1/C22H25Cl2N5OS/c1-14-19(30-13-25-14)20-26-27-21(28(20)2)31-7-3-5-29-6-4-22(12-29)11-18(22)15-8-16(23)10-17(24)9-15/h8-10,13,18H,3-7,11-12H2,1-2H3/t18-,22+/s2
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0.977n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50192248
PNG
(CHEMBL3927895 | US10239870, Example 30)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H25F4N5OS/c1-14-19(33-13-28-14)20-29-30-21(31(20)2)34-9-3-7-32-8-6-22(12-32)11-17(22)16-5-4-15(10-18(16)24)23(25,26)27/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/t17-,22+/s2
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1n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
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