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4 similar compounds to monomer 50207113

Compile data set for download or QSAR
Wt: 453.6
BDBM50207119
Wt: 450.6
BDBM50207108
Wt: 483.5
BDBM50207117
Wt: 415.5
BDBM50207109

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50207119,50207108,50207117,50207109   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207108
PNG
(CHEMBL3920432)
Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-
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0.220n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207117
PNG
(CHEMBL3970746)
Show SMILES [O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H29N5O4S/c30-24(21-2-1-15-33-21)25-18-5-3-17(4-6-18)9-10-27-11-13-28(14-12-27)23-20-8-7-19(29(31)32)16-22(20)34-26-23/h1-2,7-8,15-18H,3-6,9-14H2,(H,25,30)/t17-,18-
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0.240n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207108
PNG
(CHEMBL3920432)
Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-
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0.340n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207109
PNG
(CHEMBL3960785)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H33N5OS/c1-25(2)22(28)23-18-9-7-17(8-10-18)11-12-26-13-15-27(16-14-26)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,7-16H2,1-2H3,(H,23,28)/t17-,18-
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0.400n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207109
PNG
(CHEMBL3960785)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H33N5OS/c1-25(2)22(28)23-18-9-7-17(8-10-18)11-12-26-13-15-27(16-14-26)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,7-16H2,1-2H3,(H,23,28)/t17-,18-
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0.530n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207109
PNG
(CHEMBL3960785)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H33N5OS/c1-25(2)22(28)23-18-9-7-17(8-10-18)11-12-26-13-15-27(16-14-26)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,7-16H2,1-2H3,(H,23,28)/t17-,18-
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0.600n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207119
PNG
(CHEMBL3941190)
Show SMILES Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H31N5O2S/c25-18-5-8-20-22(16-18)32-27-23(20)29-13-11-28(12-14-29)10-9-17-3-6-19(7-4-17)26-24(30)21-2-1-15-31-21/h1-2,5,8,15-17,19H,3-4,6-7,9-14,25H2,(H,26,30)/t17-,19-
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1.10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207108
PNG
(CHEMBL3920432)
Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-
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1.10n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207109
PNG
(CHEMBL3960785)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H33N5OS/c1-25(2)22(28)23-18-9-7-17(8-10-18)11-12-26-13-15-27(16-14-26)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,7-16H2,1-2H3,(H,23,28)/t17-,18-
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1.20n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207117
PNG
(CHEMBL3970746)
Show SMILES [O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H29N5O4S/c30-24(21-2-1-15-33-21)25-18-5-3-17(4-6-18)9-10-27-11-13-28(14-12-27)23-20-8-7-19(29(31)32)16-22(20)34-26-23/h1-2,7-8,15-18H,3-6,9-14H2,(H,25,30)/t17-,18-
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1.80n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207108
PNG
(CHEMBL3920432)
Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-
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1.90n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207119
PNG
(CHEMBL3941190)
Show SMILES Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H31N5O2S/c25-18-5-8-20-22(16-18)32-27-23(20)29-13-11-28(12-14-29)10-9-17-3-6-19(7-4-17)26-24(30)21-2-1-15-31-21/h1-2,5,8,15-17,19H,3-4,6-7,9-14,25H2,(H,26,30)/t17-,19-
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4.30n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207119
PNG
(CHEMBL3941190)
Show SMILES Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H31N5O2S/c25-18-5-8-20-22(16-18)32-27-23(20)29-13-11-28(12-14-29)10-9-17-3-6-19(7-4-17)26-24(30)21-2-1-15-31-21/h1-2,5,8,15-17,19H,3-4,6-7,9-14,25H2,(H,26,30)/t17-,19-
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14n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207117
PNG
(CHEMBL3970746)
Show SMILES [O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H29N5O4S/c30-24(21-2-1-15-33-21)25-18-5-3-17(4-6-18)9-10-27-11-13-28(14-12-27)23-20-8-7-19(29(31)32)16-22(20)34-26-23/h1-2,7-8,15-18H,3-6,9-14H2,(H,25,30)/t17-,18-
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26n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207119
PNG
(CHEMBL3941190)
Show SMILES Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H31N5O2S/c25-18-5-8-20-22(16-18)32-27-23(20)29-13-11-28(12-14-29)10-9-17-3-6-19(7-4-17)26-24(30)21-2-1-15-31-21/h1-2,5,8,15-17,19H,3-4,6-7,9-14,25H2,(H,26,30)/t17-,19-
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33n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207117
PNG
(CHEMBL3970746)
Show SMILES [O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
Show InChI InChI=1S/C24H29N5O4S/c30-24(21-2-1-15-33-21)25-18-5-3-17(4-6-18)9-10-27-11-13-28(14-12-27)23-20-8-7-19(29(31)32)16-22(20)34-26-23/h1-2,7-8,15-18H,3-6,9-14H2,(H,25,30)/t17-,18-
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39n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...


Eur J Med Chem 123: 332-353 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP
More data for this
Ligand-Target Pair