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BDBM50084563 5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide::5-[(E)-4-Amino-benzenesulfonylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide::5-[4-Amino-benzenesulfonylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL13630

SMILES: Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O

InChI Key: InChIKey=BKCXBMXTXLGZCV-MDWZMJQESA-N

Data: 8 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 8 hits for monomerid = 50084563   
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))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II (CA2)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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1n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50084563
PNG
(5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihy...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(N)cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O4S3/c1-14-8(19-9(12-14)20(11,15)16)13-21(17,18)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H2,11,15,16)/b13-8+
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185n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair