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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200608'   
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))
BDBM50200608
PNG
(CHEMBL238818 | N-cyclopropyl-2-(3-{1-[3-(5-methoxy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C31H42N4O4/c1-21(2)28(39-29-19-25(38-4)12-9-22(29)3)15-18-33-16-13-24(14-17-33)35-27-8-6-5-7-26(27)34(31(35)37)20-30(36)32-23-10-11-23/h5-9,12,19,21,23-24,28H,10-11,13-18,20H2,1-4H3,(H,32,36)
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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))
BDBM50200608
PNG
(CHEMBL238818 | N-cyclopropyl-2-(3-{1-[3-(5-methoxy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C31H42N4O4/c1-21(2)28(39-29-19-25(38-4)12-9-22(29)3)15-18-33-16-13-24(14-17-33)35-27-8-6-5-7-26(27)34(31(35)37)20-30(36)32-23-10-11-23/h5-9,12,19,21,23-24,28H,10-11,13-18,20H2,1-4H3,(H,32,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/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