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BDBM10860 4-(aminomethyl)benzene-1-sulfonamide::CHEMBL419::MAFENIDE::aromatic sulfonamide compound 6::aromatic/heteroaromatic sulfonamide 5::hCA inhibitor, 9

SMILES: NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=TYMRLRRVMHJFTF-UHFFFAOYSA-N

Data: 153 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 155 hits for monomerid = 10860   
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))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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MMDB

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Article
PubMed
170n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 17: 1158-63 (2009)


Article DOI: 10.1016/j.bmc.2008.12.035
BindingDB Entry DOI: 10.7270/Q2FB53WW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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Article
PubMed
5.89E+6n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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170n/an/an/an/an/an/an/an/a



Union Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method


J Med Chem 55: 3513-20 (2012)


Article DOI: 10.1021/jm300203r
BindingDB Entry DOI: 10.7270/Q2RX9D4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
PDB
MMDB

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Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...


Bioorg Med Chem Lett 27: 490-495 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.035
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
170n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...


Bioorg Med Chem Lett 27: 490-495 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.035
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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