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SMILES: NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=NMOJAXQDSULNMZ-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 6 hits for monomerid = 50057587   
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))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 8.71E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
PDB
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NCI pathway
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KEGG

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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.


Bioorg Med Chem Lett 12: 267-70 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
More data for this
Ligand-Target Pair