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BDBM50219498 2-hydroxy-5-sulfo-benzoic acid::5-Sulfosalicylic acid::CHEMBL229241::MECLOCYCLINE SULFOSALICYLATE

SMILES: OC(=O)c1cc(ccc1O)S(O)(=O)=O

InChI Key: InChIKey=YCPXWRQRBFJBPZ-UHFFFAOYSA-N

Data: 2 KI  3 IC50

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 = 50219498   
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


(Homo sapiens (human))
BDBM50219498
PNG
(2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...)
Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
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MMDB

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KEGG
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Article
PubMed
7.70E+5n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by competitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50219498
PNG
(2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...)
Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
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Article
PubMed
1.92E+6n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50219498
PNG
(2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...)
Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
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Article
PubMed
n/an/a 4.20E+5n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50219498
PNG
(2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...)
Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
PDB
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KEGG

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 6535-48 (2007)


Article DOI: 10.1016/j.bmc.2007.07.010
BindingDB Entry DOI: 10.7270/Q2GM871J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50219498
PNG
(2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...)
Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair