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SMILES: OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1

InChI Key: InChIKey=CKTUGDQFDNCZCX-UHFFFAOYSA-N

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 = 50365168   
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 1


(Homo sapiens (Human))
BDBM50365168
PNG
(CHEMBL1950020)
Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1
Show InChI InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50365168
PNG
(CHEMBL1950020)
Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c1cc2CCCCc2cn1
Show InChI InChI=1S/C20H17ClN2O3/c21-13-5-6-14-15(9-18(24)25)19(23-16(14)8-13)20(26)17-7-11-3-1-2-4-12(11)10-22-17/h5-8,10,23H,1-4,9H2,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 1...


Eur J Med Chem 50: 179-95 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.053
BindingDB Entry DOI: 10.7270/Q2B27VR8
More data for this
Ligand-Target Pair