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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM50538538'   
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-1


(Homo sapiens (Human))
BDBM50538538
PNG
(CHEMBL4647529)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)NC |r|
Show InChI InChI=1S/C13H25BN2O4/c1-16-9-5-8-7-13(15,12(17)18)11(10(8)6-9)3-2-4-14(19)20/h8-11,16,19-20H,2-7,15H2,1H3,(H,17,18)/t8-,9+,10-,11+,13+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair