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BDBM50094443 5-(4-Trifluoromethanesulfonylamino-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL139668

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1

InChI Key: InChIKey=QKRCKJHTQMYVMG-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 = 50094443   
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))
BDBM50094443
PNG
(5-(4-Trifluoromethanesulfonylamino-benzenesulfonyl...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C9H8F3N5O6S4/c10-9(11,12)27(22,23)16-5-1-3-6(4-2-5)26(20,21)17-7-14-15-8(24-7)25(13,18)19/h1-4,16H,(H,14,17)(H2,13,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
3n/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))
BDBM50094443
PNG
(5-(4-Trifluoromethanesulfonylamino-benzenesulfonyl...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C9H8F3N5O6S4/c10-9(11,12)27(22,23)16-5-1-3-6(4-2-5)26(20,21)17-7-14-15-8(24-7)25(13,18)19/h1-4,16H,(H,14,17)(H2,13,18,19)
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PC cid
PC sid
UniChem

Similars

PubMed
25n/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))
BDBM50094443
PNG
(5-(4-Trifluoromethanesulfonylamino-benzenesulfonyl...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C9H8F3N5O6S4/c10-9(11,12)27(22,23)16-5-1-3-6(4-2-5)26(20,21)17-7-14-15-8(24-7)25(13,18)19/h1-4,16H,(H,14,17)(H2,13,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+3n/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