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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50083231'   
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))
BDBM50083231
PNG
(1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells


J Med Chem 42: 5061-3 (2000)


BindingDB Entry DOI: 10.7270/Q2MC8Z69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50083231
PNG
(1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
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PubMed
n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells


J Med Chem 42: 5061-3 (2000)


BindingDB Entry DOI: 10.7270/Q2MC8Z69
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50083231
PNG
(1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)
PDB

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PC sid
UniChem

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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity of the compound measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells.


J Med Chem 42: 5061-3 (2000)


BindingDB Entry DOI: 10.7270/Q2MC8Z69
More data for this
Ligand-Target Pair