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BDBM50389556 CHEMBL2064157

SMILES: CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1

InChI Key: InChIKey=PWILLHBMQVNGKL-QHCPKHFHSA-N

Data: 2 KI  1 IC50

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 = 50389556   
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))
BDBM50389556
PNG
(CHEMBL2064157)
Show SMILES CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1
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Article
PubMed
13.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant ORL1 receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 55: 228-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.021
BindingDB Entry DOI: 10.7270/Q2TT4S1T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50389556
PNG
(CHEMBL2064157)
Show SMILES CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1
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Article
PubMed
80.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOP receptor expressed in CHO-K1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 55: 228-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.021
BindingDB Entry DOI: 10.7270/Q2TT4S1T
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50389556
PNG
(CHEMBL2064157)
Show SMILES CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h3-11,20,23H,12-18H2,1-2H3/t23-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant ORL1 receptor expressed in HEK293 cells assessed as inhibition of N/OFQ-induced [35S]GTPgammaS binding to al...


Eur J Med Chem 55: 228-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.021
BindingDB Entry DOI: 10.7270/Q2TT4S1T
More data for this
Ligand-Target Pair