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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200589'   
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))
BDBM50200589
PNG
(2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
Show InChI InChI=1S/C30H42N4O4/c1-22(2)26(38-27-19-25(37-5)12-11-23(27)3)13-16-32-17-14-30(15-18-32)29(36)33(20-28(35)31-4)21-34(30)24-9-7-6-8-10-24/h6-12,19,22,26H,13-18,20-21H2,1-5H3,(H,31,35)
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PC cid
PC sid
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Article
PubMed
2n/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))
BDBM50200589
PNG
(2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
Show InChI InChI=1S/C30H42N4O4/c1-22(2)26(38-27-19-25(37-5)12-11-23(27)3)13-16-32-17-14-30(15-18-32)29(36)33(20-28(35)31-4)21-34(30)24-9-7-6-8-10-24/h6-12,19,22,26H,13-18,20-21H2,1-5H3,(H,31,35)
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 17n/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