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BDBM107726 US8933095, 10

SMILES: COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1

InChI Key: InChIKey=OIXXKMAQZSLKLQ-NSHDSACASA-N

Data: 2 IC50

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 2 hits for monomerid = 107726   
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107726
PNG
(US8933095, 10)
Show SMILES COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1 |r|
Show InChI InChI=1S/C14H16N4O3/c1-21-12-5-3-2-4-9(12)7-17-8-10-6-11(15)14(19)18(20)13(10)16-17/h2-5,8,11,20H,6-7,15H2,1H3/t11-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 50.2n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)


BindingDB Entry DOI: 10.7270/Q2J9653C
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107726
PNG
(US8933095, 10)
Show SMILES COc1ccccc1Cn1cc2C[C@H](N)C(=O)N(O)c2n1 |r|
Show InChI InChI=1S/C14H16N4O3/c1-21-12-5-3-2-4-9(12)7-17-8-10-6-11(15)14(19)18(20)13(10)16-17/h2-5,8,11,20H,6-7,15H2,1H3/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 50.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)


BindingDB Entry DOI: 10.7270/Q2G73CBJ
More data for this
Ligand-Target Pair