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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor antagonist protein' and Ligand = 'BDBM50519940'   
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
Interleukin-1 receptor antagonist protein


(Mus musculus)		BDBM50519940
PNG
(CHEMBL4476531)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)c1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H23F3N2O5S/c1-25(32(29,30)19-12-14(20(27)28)6-9-18(19)31-2)17-13-15(21(22,23)24)7-8-16(17)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...

J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
BindingDB Entry DOI: 10.7270/Q2DN48D3
More data for this
Ligand-Target Pair