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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50200594'   
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))
BDBM50200594
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
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PC cid
PC sid
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Article
PubMed
1n/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))
BDBM50200594
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
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 42n/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