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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50207842   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
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Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
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Article
PubMed
32n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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Article
PubMed
1.28E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair