BindingDB logo
myBDB logout

null

SMILES: COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccon4)cn3)c2c1

InChI Key: InChIKey=VGJIHNMZBNVGRL-UHFFFAOYSA-N

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 1 hit for monomerid = 221349   
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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM221349
PNG
(US9303023, 145)
Show SMILES COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccon4)cn3)c2c1
Show InChI InChI=1S/C21H18N6O4/c1-29-15-2-3-17-16(8-15)13(9-22-17)4-6-27-11-14(10-24-27)25-21(28)19-20(30-12-23-19)18-5-7-31-26-18/h2-3,5,7-12,22H,4,6H2,1H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 53n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9303023 (2016)


BindingDB Entry DOI: 10.7270/Q2251H10
More data for this
Ligand-Target Pair