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BDBM50331063 8-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid::CHEMBL1288640

SMILES: OC(=O)C1=Cc2cc(cc(Cl)c2OC1C(F)(F)F)C#C

InChI Key: InChIKey=XGSGQDRZXZOXAL-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 = 50331063   
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))
BDBM50331063
PNG
(8-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene...)
Show SMILES OC(=O)C1=Cc2cc(cc(Cl)c2OC1C(F)(F)F)C#C
Show InChI InChI=1S/C13H6ClF3O3/c1-2-6-3-7-5-8(12(18)19)11(13(15,16)17)20-10(7)9(14)4-6/h1,3-5,11H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX-2


Bioorg Med Chem Lett 20: 7164-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.059
BindingDB Entry DOI: 10.7270/Q2ZK5GXZ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50331063
PNG
(8-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene...)
Show SMILES OC(=O)C1=Cc2cc(cc(Cl)c2OC1C(F)(F)F)C#C
Show InChI InChI=1S/C13H6ClF3O3/c1-2-6-3-7-5-8(12(18)19)11(13(15,16)17)20-10(7)9(14)4-6/h1,3-5,11H,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX-1


Bioorg Med Chem Lett 20: 7164-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.059
BindingDB Entry DOI: 10.7270/Q2ZK5GXZ
More data for this
Ligand-Target Pair