BDBM50108621 CHEMBL3597963::US9403813, 28

SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1

InChI Key InChIKey=XABSGZKQRPNJSC-SFHVURJKSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108621   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM50108621(CHEMBL3597963 | US9403813, 28)
Affinity DataIC50:  397nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50108621(CHEMBL3597963 | US9403813, 28)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals

US Patent
LigandPNGBDBM50108621(CHEMBL3597963 | US9403813, 28)
Affinity DataIC50:  397nMAssay Description:Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50108621(CHEMBL3597963 | US9403813, 28)
Affinity DataIC50:  2nMT: 2°CAssay Description:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...More data for this Ligand-Target Pair
In DepthDetails US Patent