BindingDB logo
myBDB logout

null

SMILES: [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(NC(=O)c3ccc(cc3)N(C)C)c1)[C@](C)(O2)c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1

InChI Key:

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 = 50592801   
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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50592801
PNG
(CHEMBL5173055)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(NC(=O)c3ccc(cc3)N(C)C)c1)[C@](C)(O2)c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114505
BindingDB Entry DOI: 10.7270/Q2WM1JFQ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50592801
PNG
(CHEMBL5173055)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(NC(=O)c3ccc(cc3)N(C)C)c1)[C@](C)(O2)c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114505
BindingDB Entry DOI: 10.7270/Q2WM1JFQ
More data for this
Ligand-Target Pair