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BDBM263405 US9550741, II-15

SMILES: COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1

InChI Key: InChIKey=HYUZMDKRIBTARX-AQYVVDRMSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 263405   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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0.890n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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0.970n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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1.29n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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1.29n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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2.18n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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2.18n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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3.03n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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3.03n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
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7.19n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM263405
PNG
(US9550741, II-15)
Show SMILES COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3S3/c1-35-23-10-11-25-21(18-23)19-27(36-25)38(33,34)30-22-8-6-20(7-9-22)12-13-31-14-16-32(17-15-31)28-24-4-2-3-5-26(24)37-29-28/h2-5,10-11,18-20,22,30H,6-9,12-17H2,1H3/t20-,22-
Reactome pathway

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7.19n/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)


BindingDB Entry DOI: 10.7270/Q2DN4726
More data for this
Ligand-Target Pair