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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.1
BDBM50538536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50538536
PNG
(CHEMBL4639893)
Show SMILES [H][C@]12C[C@H](N)C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c14-8-4-7-6-12(15,11(16)17)10(9(7)5-8)2-1-3-13(18)19/h7-10,18-19H,1-6,14-15H2,(H,16,17)/t7-,8+,9-,10+,12+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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