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SMILES: [H][C@]12C[C@@H](NC)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O

InChI Key: InChIKey=IFKCUJGGILAAIM-KXTOZSSYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50538547   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginase-1


(Homo sapiens (Human))
BDBM50538547
PNG
(CHEMBL4648504)
Show SMILES [H][C@]12C[C@@H](NC)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-9-5-7-6-13(16,12(18)19)8(10(7)11(9)15)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8+,9-,10-,11+,13+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538547
PNG
(CHEMBL4648504)
Show SMILES [H][C@]12C[C@@H](NC)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-9-5-7-6-13(16,12(18)19)8(10(7)11(9)15)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8+,9-,10-,11+,13+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/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)

More data for this
Ligand-Target Pair