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BDBM50074905 CHEMBL3410347

SMILES: NS(=O)(=O)c1ccc(cc1)N1N=C2C(CCc3ccccc23)C1c1ccccc1Cl

InChI Key: InChIKey=OSUYLEWFDXTOCS-UHFFFAOYNA-N

Data: 2 IC50

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 = 50074905   
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))
BDBM50074905
PNG
(CHEMBL3410347)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C2C(CCc3ccccc23)C1c1ccccc1Cl
Show InChI InChI=1/C23H20ClN3O2S/c24-21-8-4-3-7-19(21)23-20-14-9-15-5-1-2-6-18(15)22(20)26-27(23)16-10-12-17(13-11-16)30(25,28)29/h1-8,10-13,20,23H,9,14H2,(H2,25,28,29)
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 4.92E+3n/an/an/an/an/an/a



The First Affiliated Hospital of Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by ELISA


Bioorg Med Chem Lett 25: 1947-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.022
BindingDB Entry DOI: 10.7270/Q2NS0WM8
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50074905
PNG
(CHEMBL3410347)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C2C(CCc3ccccc23)C1c1ccccc1Cl
Show InChI InChI=1/C23H20ClN3O2S/c24-21-8-4-3-7-19(21)23-20-14-9-15-5-1-2-6-18(15)22(20)26-27(23)16-10-12-17(13-11-16)30(25,28)29/h1-8,10-13,20,23H,9,14H2,(H2,25,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



The First Affiliated Hospital of Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 by ELISA


Bioorg Med Chem Lett 25: 1947-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.022
BindingDB Entry DOI: 10.7270/Q2NS0WM8
More data for this
Ligand-Target Pair