BindingDB logo
myBDB logout

1 similar compounds to monomer 50094007

Compile data set for download or QSAR
Wt: 374.4
BDBM50094005

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50094005   
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))
BDBM50094005
PNG
(CHEMBL3585943)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c(C)n1
Show InChI InChI=1/C22H22N4O2/c1-15-19(13-24-16(2)25-15)28-14-22(17-8-4-3-5-9-17)12-18(22)21(27)26-20-10-6-7-11-23-20/h3-11,13,18H,12,14H2,1-2H3,(H,23,26,27)/t18-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX2R by radioligand displacement binding assay


J Med Chem 58: 4648-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00217
BindingDB Entry DOI: 10.7270/Q2125VD7
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50094005
PNG
(CHEMBL3585943)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c(C)n1
Show InChI InChI=1/C22H22N4O2/c1-15-19(13-24-16(2)25-15)28-14-22(17-8-4-3-5-9-17)12-18(22)21(27)26-20-10-6-7-11-23-20/h3-11,13,18H,12,14H2,1-2H3,(H,23,26,27)/t18-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX1R by radioligand displacement binding assay


J Med Chem 58: 4648-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00217
BindingDB Entry DOI: 10.7270/Q2125VD7
More data for this
Ligand-Target Pair