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BDBM50083227 1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one::CHEMBL146054

SMILES: CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl

InChI Key: InChIKey=ICPHYGRATJRGHH-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50083227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor delta 1 by displacing radioligand [3H][D-Ala2,D-Leu5]enk...


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))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity against nociceptin produced [35S]GTP-gamma-S, binding to Opioid receptor like 1 expressed in CHO cells


J Med Chem 42: 5061-3 (2000)


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


(Homo sapiens (Human))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/a 32n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]-U-69,593


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))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/a 5.90n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor like 1 by displacing radioligand [125I]-Tyr14-nociceptin


J Med Chem 42: 5061-3 (2000)


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


(Homo sapiens (Human))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/a 43n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity in CHO cells stably expressing cloned human Opioid receptor mu 1 by displacing diprenorphine


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))
BDBM50083227
PNG
(1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)
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n/an/an/an/a 25n/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity of the compound against nociceptin produced GTPgammaS binding to Opioid receptor like 1 expressed in CHO cells


J Med Chem 42: 5061-3 (2000)


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