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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200614'   
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))
BDBM50200614
PNG
(1-methanesulfonylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O5S/c1-20(2)26(36-27-18-23(35-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-37(5,33)34/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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PC cid
PC sid
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200614
PNG
(1-methanesulfonylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O5S/c1-20(2)26(36-27-18-23(35-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-37(5,33)34/h6-11,18,20,22,26H,12-17,19H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair