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SMILES: O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23

InChI Key: InChIKey=JLFMYEAXZNPWBK-REWPJTCUSA-N

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 5 hits for monomerid = 50420802   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50420802
PNG
(CHEMBL2088034)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]Nociceptin from human recombinant NOP receptor expressed in CHO cells by scintillation counter


J Med Chem 55: 4955-67 (2012)


Article DOI: 10.1021/jm201629q
BindingDB Entry DOI: 10.7270/Q2TQ62SQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50420802
PNG
(CHEMBL2088034)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
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>400n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta type opioid receptor expressed in CHO cell membranes by scintillation counter


J Med Chem 55: 4955-67 (2012)


Article DOI: 10.1021/jm201629q
BindingDB Entry DOI: 10.7270/Q2TQ62SQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50420802
PNG
(CHEMBL2088034)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
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>400n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu type opioid receptor expressed in CHO cell membranes by scintillation counter


J Med Chem 55: 4955-67 (2012)


Article DOI: 10.1021/jm201629q
BindingDB Entry DOI: 10.7270/Q2TQ62SQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50420802
PNG
(CHEMBL2088034)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
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>400n/an/an/an/an/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa type opioid receptor expressed in CHO cell membranes by scintillation counter


J Med Chem 55: 4955-67 (2012)


Article DOI: 10.1021/jm201629q
BindingDB Entry DOI: 10.7270/Q2TQ62SQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50420802
PNG
(CHEMBL2088034)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Centro de Investigaci�n Lilly

Curated by ChEMBL


Assay Description
Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 4955-67 (2012)


Article DOI: 10.1021/jm201629q
BindingDB Entry DOI: 10.7270/Q2TQ62SQ
More data for this
Ligand-Target Pair