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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50132651'   
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))
BDBM50132651
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluo...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6NO/c21-17-6-5-15(11-16(17)20(25,26)27)18(29)7-9-28(10-8-18)12-13-1-3-14(4-2-13)19(22,23)24/h1-6,11,29H,7-10,12H2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50132651
PNG
(4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluo...)
Show SMILES OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6NO/c21-17-6-5-15(11-16(17)20(25,26)27)18(29)7-9-28(10-8-18)12-13-1-3-14(4-2-13)19(22,23)24/h1-6,11,29H,7-10,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.19E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair