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BDBM50159926 1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one::CHEMBL183603

SMILES: CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=TXNHLEQUNFKGIN-UHFFFAOYNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50159926   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159926
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-buty...)
Show SMILES CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1/C23H28ClN3O3/c1-15-7-8-18(24)22(13-15)30-16(2)21(28)14-26-11-9-17(10-12-26)27-20-6-4-3-5-19(20)25-23(27)29/h3-8,13,16-17,21,28H,9-12,14H2,1-2H3,(H,25,29)
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PC cid
PC sid
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Similars

Article
PubMed
118n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine as radioligand expressed in Chinese hamster ovary (CHO...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50159926
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-buty...)
Show SMILES CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1/C23H28ClN3O3/c1-15-7-8-18(24)22(13-15)30-16(2)21(28)14-26-11-9-17(10-12-26)27-20-6-4-3-5-19(20)25-23(27)29/h3-8,13,16-17,21,28H,9-12,14H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
838n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO)...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair