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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Arginase' and Ligand = 'BDBM50241867'   
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
Arginase


(Leishmania amazonensis)
BDBM50241867
PNG
(((2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
PDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
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Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Competitive inhibition of Leishmania amazonensis arginase assessed as inhibition constant for enzyme-inhibitor complex using L-arginine as substrate ...


J Nat Prod 79: 1459-63 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00875
BindingDB Entry DOI: 10.7270/Q2G73J78
More data for this
Ligand-Target Pair