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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50116661'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116661
PNG
(CHEMBL75668 | N-[(S)-1-(2,5-Dihydro-pyrrol-1-ylmet...)
Show SMILES CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc(cc1)[N+]([O-])=O |c:8|
Show InChI InChI=1S/C18H25N3O3S/c1-19(17(9-12-25-2)14-20-10-3-4-11-20)18(22)13-15-5-7-16(8-6-15)21(23)24/h3-8,17H,9-14H2,1-2H3/t17-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of bound [3H]-diprenorphine in cloned rat Opioid receptor kappa 1 expressed in Sf9 insect cells

Bioorg Med Chem Lett 12: 2287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2QV3KTP
More data for this
Ligand-Target Pair