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BDBM50446681 CHEMBL3113617

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12

InChI Key: InChIKey=RFZWCDJCCQBGPO-UHFFFAOYSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446681   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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n/an/a 8.60n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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n/an/a 9.11E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.01E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair