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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50259142'   
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))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
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PC cid
PC sid
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Article
PubMed
7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259142
PNG
(CHEMBL3084529 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
Show InChI InChI=1S/C26H24Cl2FN3O/c27-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)28)32-17-10-11-18(32)14-26(13-17,25(30)33)23-12-9-16(29)15-31-23/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair