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BDBM50376401 CHEMBL405319

SMILES: Nc1cccnc1NC(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MQQFHSLWSMWEHM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376401   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50376401
PNG
(CHEMBL405319)
Show SMILES Nc1cccnc1NC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O/c14-13(15,16)9-5-3-8(4-6-9)12(20)19-11-10(17)2-1-7-18-11/h1-7H,17H2,(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2


J Med Chem 51: 2400-11 (2008)


Article DOI: 10.1021/jm701191z
BindingDB Entry DOI: 10.7270/Q2Z0391M
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50376401
PNG
(CHEMBL405319)
Show SMILES Nc1cccnc1NC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O/c14-13(15,16)9-5-3-8(4-6-9)12(20)19-11-10(17)2-1-7-18-11/h1-7H,17H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Med Chem 51: 2400-11 (2008)


Article DOI: 10.1021/jm701191z
BindingDB Entry DOI: 10.7270/Q2Z0391M
More data for this
Ligand-Target Pair