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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM50538526'   
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))
BDBM50538526
PNG
(CHEMBL4646697)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C16H30BN3O5/c1-9(2)13(18)14(21)20-7-10-6-16(19,15(22)23)12(11(10)8-20)4-3-5-17(24)25/h9-13,24-25H,3-8,18-19H2,1-2H3,(H,22,23)/t10-,11+,12-,13-,16-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538526
PNG
(CHEMBL4646697)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C16H30BN3O5/c1-9(2)13(18)14(21)20-7-10-6-16(19,15(22)23)12(11(10)8-20)4-3-5-17(24)25/h9-13,24-25H,3-8,18-19H2,1-2H3,(H,22,23)/t10-,11+,12-,13-,16-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/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