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BDBM50147737 1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydro-indol-2-one::CHEMBL100574

SMILES: O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1

InChI Key: InChIKey=PXFVUZDVIRDKOZ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50147737   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50147737
PNG
(1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydr...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
PDB

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Article
PubMed
227n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 on CHO cell membranes was determined by [3H]DAMGO displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50147737
PNG
(1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydr...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
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Article
PubMed
343n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 on CHO cell membranes by [3H]U-69593 displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50147737
PNG
(1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydr...)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C26H38N2O/c29-25-19-22-13-7-8-14-24(22)28(25)23-15-17-27(18-16-23)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-14,20-21,23,26H,1-6,9-12,15-19H2
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.


J Med Chem 47: 2973-6 (2004)


Article DOI: 10.1021/jm034249d
BindingDB Entry DOI: 10.7270/Q2KW5FHV
More data for this
Ligand-Target Pair