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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50100993'   
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))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1S/C24H33N3O/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28)/t22-,24-
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50100993
PNG
(CHEMBL3325881)
Show SMILES Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
Show InChI InChI=1S/C24H33N3O/c1-27(2)24(21-13-7-4-8-14-21)17-15-22(16-18-24)26-23(28)25-19-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,22H,9,12,15-19H2,1-2H3,(H2,25,26,28)/t22-,24-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 4.30E+4n/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair