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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200588'   
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))
BDBM50200588
PNG
((3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpent...)
Show SMILES COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C29H39N3O5/c1-20(2)26(37-27-18-23(35-4)11-10-21(27)3)14-17-30-15-12-22(13-16-30)32-25-9-7-6-8-24(25)31(29(32)34)19-28(33)36-5/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
4n/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))
BDBM50200588
PNG
((3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpent...)
Show SMILES COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C29H39N3O5/c1-20(2)26(37-27-18-23(35-4)11-10-21(27)3)14-17-30-15-12-22(13-16-30)32-25-9-7-6-8-24(25)31(29(32)34)19-28(33)36-5/h6-11,18,20,22,26H,12-17,19H2,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 123n/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