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BDBM50148571 CHEMBL3770745

SMILES: CCN(CCN(C)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=XOFCXQHIUXUAQZ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50148571   
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 1


(Homo sapiens (Human))
BDBM50148571
PNG
(CHEMBL3770745)
Show SMILES CCN(CCN(C)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24N6O2/c1-4-27(14-13-26(3)22-25-18-7-5-6-8-20(18)30-22)21(29)17-15-16(2)9-10-19(17)28-23-11-12-24-28/h5-12,15H,4,13-14H2,1-3H3
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Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at OX1R (unknown origin)


J Med Chem 59: 504-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00832
BindingDB Entry DOI: 10.7270/Q29C709W
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50148571
PNG
(CHEMBL3770745)
Show SMILES CCN(CCN(C)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24N6O2/c1-4-27(14-13-26(3)22-25-18-7-5-6-8-20(18)30-22)21(29)17-15-16(2)9-10-19(17)28-23-11-12-24-28/h5-12,15H,4,13-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at OX2R (unknown origin)


J Med Chem 59: 504-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00832
BindingDB Entry DOI: 10.7270/Q29C709W
More data for this
Ligand-Target Pair