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SMILES: NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1

InChI Key: InChIKey=RWOGWGFZPPSAHY-DAFNUICNSA-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 5 hits for monomerid = 50467992   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50467992
PNG
(CHEMBL4282681)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-
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53n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by Lineweaver-Burk plot analysis


ACS Med Chem Lett 9: 1045-1050 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00352
BindingDB Entry DOI: 10.7270/Q21N83TH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50467992
PNG
(CHEMBL4282681)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-
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340n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by Lineweaver-Burk plot analysis


ACS Med Chem Lett 9: 1045-1050 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00352
BindingDB Entry DOI: 10.7270/Q21N83TH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50467992
PNG
(CHEMBL4282681)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-
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750n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by Lineweaver-Burk plot analysis


ACS Med Chem Lett 9: 1045-1050 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00352
BindingDB Entry DOI: 10.7270/Q21N83TH
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50467992
PNG
(CHEMBL4282681)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-
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2.78E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by Lineweaver-Burk plot analysis


ACS Med Chem Lett 9: 1045-1050 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00352
BindingDB Entry DOI: 10.7270/Q21N83TH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50467992
PNG
(CHEMBL4282681)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1
Show InChI InChI=1S/C21H15Cl2N3O2S2/c22-14-6-11-18(19(23)12-14)20-13-29-21(26(20)16-4-2-1-3-5-16)25-15-7-9-17(10-8-15)30(24,27)28/h1-13H,(H2,24,27,28)/b25-21-
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in baculovirus infected sf21 cells assessed as reduction in formation of oxidized TMPD using arachidonic acid as s...


ACS Med Chem Lett 9: 1045-1050 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00352
BindingDB Entry DOI: 10.7270/Q21N83TH
More data for this
Ligand-Target Pair