BDBM50438810 CHEMBL2413511::US8680275, 118

SMILES Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1cnc2ccccc2n1)-n1nccn1

InChI Key InChIKey=UOFXNRKZCLVAQG-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50438810   

TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50438810(CHEMBL2413511 | US8680275, 118)
Affinity DataKi:  33nMAssay Description:Antagonist activity at human orexin receptor 1 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50438810(CHEMBL2413511 | US8680275, 118)
Affinity DataKi:  33nM ΔG°:  -9.48kcal/moleT: 2°CAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/16/2014
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50438810(CHEMBL2413511 | US8680275, 118)
Affinity DataKi:  40nMAssay Description:Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50438810(CHEMBL2413511 | US8680275, 118)
Affinity DataKi:  40nM ΔG°:  -9.37kcal/moleT: 2°CAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/16/2014
Entry Details
US Patent