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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50354572'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
BindingDB Entry DOI: 10.7270/Q2NS0V9T
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354572
PNG
(CHEMBL1834411)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C35H45NO4/c1-31(2,24-8-6-5-7-9-24)21-32(3,38)26-19-33-14-15-35(26,39-4)30-34(33)16-17-36(20-22-10-11-22)27(33)18-23-12-13-25(37)29(40-30)28(23)34/h5-9,12-13,22,26-27,30,37-38H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33-,34+,35-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.38E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillatio...


J Med Chem 54: 6531-7 (2011)


Article DOI: 10.1021/jm2003238
BindingDB Entry DOI: 10.7270/Q2NS0V9T
More data for this
Ligand-Target Pair