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SMILES: CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1

InChI Key: InChIKey=ISKOWROMVLMSOV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50340696   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
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Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340696
PNG
(CHEMBL1762400 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C31H36N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-19,33H,3-5,8,17,20-21H2,1-2H3,(H2,32,34)(H,35,36)
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.59E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair