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BDBM50167327 CHEMBL191045::[4-Chloro-6-(4-sulfamoyl-benzylamino)-[1,3,5]triazin-2-ylamino]-acetic acid

SMILES: NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1

InChI Key: InChIKey=HGULMEYATWWKDO-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50167327   
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 9


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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9.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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9.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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10.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5a preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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62n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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351n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167327
PNG
(CHEMBL191045 | [4-Chloro-6-(4-sulfamoyl-benzylamin...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(NCC(O)=O)n2)cc1
Show InChI InChI=1S/C12H13ClN6O4S/c13-10-17-11(19-12(18-10)16-6-9(20)21)15-5-7-1-3-8(4-2-7)24(14,22)23/h1-4H,5-6H2,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19)
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3.03E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)

More data for this
Ligand-Target Pair