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BDBM50055078 CHEMBL3321775

SMILES: OC(=O)CCC(=O)N1CCN(C2C(CCCC12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SBGQLPAJVNLQHT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055078   
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))		BDBM50055078
PNG
(CHEMBL3321775)
Show SMILES OC(=O)CCC(=O)N1CCN(C2C(CCCC12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H31Cl2N3O4/c25-17-7-6-16(14-18(17)26)15-22(31)29-13-12-28(21(30)8-9-23(32)33)20-5-3-4-19(24(20)29)27-10-1-2-11-27/h6-7,14,19-20,24H,1-5,8-13,15H2,(H,32,33)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 136n/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