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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ornithine aminotransferase, mitochondrial' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Ornithine aminotransferase, mitochondrial


(Homo sapiens)
BDBM50121376
PNG
(GABACULINE)
Show SMILES N[C@@H]1CCCC(=C1)C(O)=O
Show InChI InChI=1/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
PubMed
2.10n/an/an/an/an/an/an/an/a



Hebrew University-Hadassah Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate


ACS Med Chem Lett 6: 840-4 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine aminotransferase, mitochondrial


(Homo sapiens)
BDBM50199989
PNG
((1S,3S)-3-amino-4-(2,2,2-trifluoro-1-trifluorometh...)
Show SMILES N[C@H]1C[C@H](CC1=C(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C9H9F6NO2/c10-8(11,12)6(9(13,14)15)4-1-3(7(17)18)2-5(4)16/h3,5H,1-2,16H2,(H,17,18)/t3-,5-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4.20n/an/an/an/an/an/an/an/a



Hebrew University-Hadassah Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate


ACS Med Chem Lett 6: 840-4 (2015)

More data for this
Ligand-Target Pair