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BDBM50335600 CHEMBL1651092::pulicatins G

SMILES: NC(=O)C1CSC(=N1)c1ccccc1O

InChI Key: InChIKey=CMXJVCRUSKHTHR-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50335600   
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 2B


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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1.26E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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1.30E+3n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor expressed in baculovirus infected Sf9 cells


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT5A receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1D receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
PDB
MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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PC sid
UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
PDB

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CHEMBL
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PC sid
UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT1B receptor expressed in baculovirus infected Sf9 cells


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
PDB

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PC sid
UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1E receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of the Philippines

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7A receptor (unknown origin) by radioligand binding assay


J Nat Prod 80: 2360-2370 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00317
BindingDB Entry DOI: 10.7270/Q24F1TB4
More data for this
Ligand-Target Pair