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BDBM50083229 1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-piperidin-4-yl)-3-ethyl-1,3-dihydro-benzoimidazol-2-one::CHEMBL146462

SMILES: CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O

InChI Key: InChIKey=MBGVUMXBUGIIBQ-RTWAWAEBSA-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 = 50083229   
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))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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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
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))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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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 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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n/an/a 3.30E+3n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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n/an/a 2.60E+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 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))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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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
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))
BDBM50083229
PNG
(1-((3S,4S)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m1/s1
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n/an/a 820n/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