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BDBM50159788 CHEMBL3786973

SMILES: CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1

InChI Key: InChIKey=FIGQVKAQXFFDHK-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50159788   
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 6


(Homo sapiens (Human))
BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor (unknown origin)


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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antibodypedia
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PC cid
PC sid
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT receptor (unknown origin)


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (Human))
BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
PDB
MMDB

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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor (unknown origin)


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair