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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 = 'BDBM50395097'   
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


(Mus musculus (Mouse))		BDBM50395097
PNG
(CHEMBL2163533)
Show SMILES COc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
Show InChI InChI=1S/C27H29IN2O4/c1-3-12-30-13-11-26-22-16-7-8-20(33-2)23(22)34-24(26)19(9-10-27(26,32)21(30)15-16)29-25(31)17-5-4-6-18(28)14-17/h3-8,14,19,21,24,32H,1,9-13,15H2,2H3,(H,29,31)/t19-,21-,24+,26+,27-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
>100n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins

J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair