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BDBM50155555 2-Amino-indan-5-sulfonic acid::2-amino-2,3-dihydro-1H-indene-5-sulfonic acid::CHEMBL186263

SMILES: NC1Cc2ccc(cc2C1)S(O)(=O)=O

InChI Key: InChIKey=NVRZETXANFNFEF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50155555   
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 12


(Homo sapiens (Human))
BDBM50155555
PNG
(2-Amino-indan-5-sulfonic acid | 2-amino-2,3-dihydr...)
Show SMILES NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C9H11NO3S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H,11,12,13)
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4.80n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50155555
PNG
(2-Amino-indan-5-sulfonic acid | 2-amino-2,3-dihydr...)
Show SMILES NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C9H11NO3S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H,11,12,13)
PDB
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8n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50155555
PNG
(2-Amino-indan-5-sulfonic acid | 2-amino-2,3-dihydr...)
Show SMILES NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C9H11NO3S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H,11,12,13)
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MMDB

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43n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50155555
PNG
(2-Amino-indan-5-sulfonic acid | 2-amino-2,3-dihydr...)
Show SMILES NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C9H11NO3S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H,11,12,13)
PDB

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82n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50155555
PNG
(2-Amino-indan-5-sulfonic acid | 2-amino-2,3-dihydr...)
Show SMILES NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C9H11NO3S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
84n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair