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BDBM50055068 CHEMBL3323515

SMILES: Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl

InChI Key: InChIKey=QBDNZJPBHCOONA-UHFFFAOYNA-N

Data: 4 KI  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 5 hits for monomerid = 50055068   
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


(Cavia porcellus (domestic guinea pig))
BDBM50055068
PNG
(CHEMBL3323515)
Show SMILES Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Show InChI InChI=1/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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4.20n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055068
PNG
(CHEMBL3323515)
Show SMILES Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Show InChI InChI=1/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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24n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50055068
PNG
(CHEMBL3323515)
Show SMILES Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Show InChI InChI=1/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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2.26E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50055068
PNG
(CHEMBL3323515)
Show SMILES Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Show InChI InChI=1/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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4.30E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-deltorphine from human delta opioid receptor expressed in CHO-K1 cells by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50055068
PNG
(CHEMBL3323515)
Show SMILES Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
Show InChI InChI=1/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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n/an/an/an/a 41n/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid...


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair