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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50245752   
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 12


(Homo sapiens (Human))
BDBM50245752
PNG
(CHEMBL4098958)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2782-2788 (2017)


Article DOI: 10.1016/j.bmc.2017.03.054
BindingDB Entry DOI: 10.7270/Q24M96X2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50245752
PNG
(CHEMBL4098958)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2782-2788 (2017)


Article DOI: 10.1016/j.bmc.2017.03.054
BindingDB Entry DOI: 10.7270/Q24M96X2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50245752
PNG
(CHEMBL4098958)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2782-2788 (2017)


Article DOI: 10.1016/j.bmc.2017.03.054
BindingDB Entry DOI: 10.7270/Q24M96X2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50245752
PNG
(CHEMBL4098958)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
387n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2782-2788 (2017)


Article DOI: 10.1016/j.bmc.2017.03.054
BindingDB Entry DOI: 10.7270/Q24M96X2
More data for this
Ligand-Target Pair