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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Catalase' and Ligand = 'BDBM50480878'   
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
Catalase


(Rattus norvegicus)		BDBM50480878
PNG
(CHEMBL575287)
Show SMILES [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)SCCN)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H30N3O7PS/c1-27-13-11-25-10-9-20(15-22(25)33-24-21(32-2)8-3-17(16-27)23(24)25)35-36(31,37-14-12-26)34-19-6-4-18(5-7-19)28(29)30/h3-10,20,22H,11-16,26H2,1-2H3/t20-,22-,25-,36?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain

Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair