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BDBM50094403 2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-6-yl)-benzamide::CHEMBL343916

SMILES: NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1

InChI Key: InChIKey=BMQWSLBNOKTRQB-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50094403   
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))
BDBM50094403
PNG
(2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C14H6F5N3O3S2/c15-8-7(9(16)11(18)12(19)10(8)17)13(23)21-4-1-2-5-6(3-4)26-14(22-5)27(20,24)25/h1-3H,(H,21,23)(H2,20,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50094403
PNG
(2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C14H6F5N3O3S2/c15-8-7(9(16)11(18)12(19)10(8)17)13(23)21-4-1-2-5-6(3-4)26-14(22-5)27(20,24)25/h1-3H,(H,21,23)(H2,20,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50094403
PNG
(2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C14H6F5N3O3S2/c15-8-7(9(16)11(18)12(19)10(8)17)13(23)21-4-1-2-5-6(3-4)26-14(22-5)27(20,24)25/h1-3H,(H,21,23)(H2,20,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase I (CA1)


J Med Chem 43: 4542-51 (2000)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair