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SMILES: O=C(CC#N)N\N=C\c1c[nH]c2ccccc12

InChI Key: InChIKey=NDKPKOACXIITRW-OVCLIPMQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50469276   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50469276
PNG
(CHEMBL4282782)
Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco (UFPE)

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...


Bioorg Med Chem 26: 5388-5396 (2018)


Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50469276
PNG
(CHEMBL4282782)
Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco (UFPE)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr


Bioorg Med Chem 26: 5388-5396 (2018)


Article DOI: 10.1016/j.bmc.2018.07.024
BindingDB Entry DOI: 10.7270/Q26T0QCC
More data for this
Ligand-Target Pair