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BDBM50008099 CHEMBL1234777

SMILES: N[C@@H](CCNC(=N)NO)C(O)=O

InChI Key: InChIKey=KOBHCUDVWOTEKO-VKHMYHEASA-N

Data: 1 KI  1 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50008099   
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-2, mitochondrial


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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Similars

51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of arginase 2 (unknown origin)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736THR
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat liver arginase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
PDB
MMDB

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antibodypedia
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UniChem

Patents


Similars

PDB
n/an/an/a 47n/an/an/an/an/a


TBA

Assay Description
Binding affinity to arginase 1 (unknown origin)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736THR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)