BDBM50434481 CHEMBL2385132::CHEMBL2385133::CHEMBL2385134

SMILES CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C

InChI Key InChIKey=KJPHTXTWFHVJIG-UHFFFAOYSA-N

Data  10 KI  2 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50434481   

TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataIC50: 2nMAssay Description:Antagonist activity at OX2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at OX1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to orexin receptor 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.10nMAssay Description:Antagonist activity at OX2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  900nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  900nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  900nMAssay Description:Binding affinity to orexin receptor 1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434481(CHEMBL2385133 | CHEMBL2385134 | CHEMBL2385132)
Affinity DataKi:  4.47E+3nMAssay Description:Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)