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2 similar compounds to monomer 50207141

Compile data set for download or QSAR
Wt: 477.6
BDBM50207144
Wt: 386.5
BDBM50207142

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50207144,50207142   
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))
BDBM50207142
PNG
(CHEMBL3973487)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4OS/c1-16(26)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)21-19-4-2-3-5-20(19)27-23-21/h2-5,17-18H,6-15H2,1H3,(H,22,26)/t17-,18-
UniProtKB/SwissProt

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Article
PubMed
0.160n/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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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US Patent
0.180n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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US Patent
0.180n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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0.180n/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))
BDBM50207142
PNG
(CHEMBL3973487)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4OS/c1-16(26)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)21-19-4-2-3-5-20(19)27-23-21/h2-5,17-18H,6-15H2,1H3,(H,22,26)/t17-,18-
UniProtKB/SwissProt

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Article
PubMed
0.690n/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))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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0.910n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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US Patent
0.910n/an/an/an/an/an/a7.7n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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1.40n/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))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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US Patent
1.40n/an/an/an/an/an/a7.5n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
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US Patent
1.40n/an/an/an/an/an/a7.5n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
UniProtKB/SwissProt

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US Patent
5.30n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207144
PNG
(CHEMBL3940712 | US9550741, IV-11)
Show SMILES O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H35N5OS/c33-27(28-20-22-6-2-1-3-7-22)29-23-12-10-21(11-13-23)14-15-31-16-18-32(19-17-31)26-24-8-4-5-9-25(24)34-30-26/h1-9,21,23H,10-20H2,(H2,28,29,33)/t21-,23-
UniProtKB/SwissProt

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Article
PubMed
5.30n/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))
BDBM50207142
PNG
(CHEMBL3973487)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4OS/c1-16(26)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)21-19-4-2-3-5-20(19)27-23-21/h2-5,17-18H,6-15H2,1H3,(H,22,26)/t17-,18-
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5.80n/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))
BDBM50207142
PNG
(CHEMBL3973487)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4OS/c1-16(26)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)21-19-4-2-3-5-20(19)27-23-21/h2-5,17-18H,6-15H2,1H3,(H,22,26)/t17-,18-
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25n/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