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BDBM50014933 CHEMBL3262074

SMILES: O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1

InChI Key: InChIKey=RICQZTPPHHRVDM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014933   
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
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014933
PNG
(CHEMBL3262074)
Show SMILES O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C21H13NO4/c23-19-15-8-4-5-9-16(15)20(24)18(17(19)14-10-11-26-12-14)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
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PC sid
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Similars

Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)


Article DOI: 10.1016/j.bmc.2014.03.015
BindingDB Entry DOI: 10.7270/Q2S75HVG
More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50014933
PNG
(CHEMBL3262074)
Show SMILES O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C21H13NO4/c23-19-15-8-4-5-9-16(15)20(24)18(17(19)14-10-11-26-12-14)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)


Article DOI: 10.1016/j.bmc.2014.03.015
BindingDB Entry DOI: 10.7270/Q2S75HVG
More data for this
Ligand-Target Pair