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BDBM50055077 CHEMBL3323525

SMILES: OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)CC(O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ZTJTUFWQZLVAEU-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 50055077   
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))
BDBM50055077
PNG
(CHEMBL3323525)
Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)CC(O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C23H29Cl2N3O5/c24-16-5-4-14(10-17(16)25)11-20(30)28-9-8-27(21(31)12-22(32)33)19-3-1-2-18(23(19)28)26-7-6-15(29)13-26/h4-5,10,15,18-19,23,29H,1-3,6-9,11-13H2,(H,32,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
482n/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))
BDBM50055077
PNG
(CHEMBL3323525)
Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)CC(O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C23H29Cl2N3O5/c24-16-5-4-14(10-17(16)25)11-20(30)28-9-8-27(21(31)12-22(32)33)19-3-1-2-18(23(19)28)26-7-6-15(29)13-26/h4-5,10,15,18-19,23,29H,1-3,6-9,11-13H2,(H,32,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
870n/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