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PDB code 2JAJ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Dimethylarginine dimethylaminohydrolase 1 (DDAH)

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM141899
PNG
(US8921421, L-257 | hDDAH inhibitor, 2a)
Show SMILES COCCNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
1.30E+4n/a 2.90E+4n/an/an/an/a7.4n/a



Christian-Albrechts-Universitaet Zu Kiel

US Patent


Assay Description
This assay was used to determine the inhibiting effect of the inhibitors in a concentration of 1 mM. A standard incubation mixture consisted of 75 &#...


US Patent US8921421 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM141899
PNG
(US8921421, L-257 | hDDAH inhibitor, 2a)
Show SMILES COCCNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.30E+4 -29.0n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


J Enzyme Inhib Med Chem 27: 24-8 (2012)


Article DOI: 10.3109/14756366.2011.573480
BindingDB Entry DOI: 10.7270/Q24B3064
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output