BDBM50384416 CHEMBL2111553::CHEMBL291536::SB-334867

SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1

InChI Key InChIKey=AKMNUCBQGHFICM-UHFFFAOYSA-N

Data  13 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50384416   

TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at OX1 receptor expressed in RD-HGA16 cells assessed as inhibition of orexin A-induced intracellular calcium mobilization after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 8.35E+5nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells by Syto62 probe based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 40nMAssay 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/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 40nMAssay Description:Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 1.80E+4nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 8.35E+5nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells by Syto62 probe based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataIC50: 1.80E+4nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  14nMAssay Description:Displacement of [125I]-orexin A from human OX1 receptor expressed in CHO cell membranes after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  16nMAssay 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)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  18nMAssay Description:Displacement of N6,10-rhodamine green-tagged orexin-A from human OX1 receptor expressed in CHO cells measured after 30 mins by syto62 staining based ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  28nMAssay 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)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  48nMAssay Description:Binding affinity to human OXIRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  631nMAssay 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
PubMed
TargetAdenosine receptor A2a(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  670nMAssay Description:Binding affinity to adenosine 2A receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2020
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  835nMAssay Description:Binding affinity to human OX2 receptor expressed in CHO cells by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to 5HT2c receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2020
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  1.70E+3nMAssay 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
PubMed
TargetOrexin receptor type 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  3.78E+3nMAssay Description:Binding affinity to human OX2RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi:  3.98E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50384416(CHEMBL291536 | CHEMBL2111553 | SB-334867)
Affinity DataKi: <5.01E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 2C receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2018
Entry Details Article
PubMed