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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50106412   
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))
BDBM50106412
PNG
(CHEMBL3601884)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccc(c2)[N+]([O-])=O)n1C1CCCCC1
Show InChI InChI=1S/C21H22N4O4S2/c22-31(28,29)19-11-9-16(10-12-19)23-21-24(17-6-2-1-3-7-17)20(14-30-21)15-5-4-8-18(13-15)25(26)27/h4-5,8-14,17H,1-3,6-7H2,(H2,22,28,29)/b23-21-
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Article
PubMed
7n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50106412
PNG
(CHEMBL3601884)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccc(c2)[N+]([O-])=O)n1C1CCCCC1
Show InChI InChI=1S/C21H22N4O4S2/c22-31(28,29)19-11-9-16(10-12-19)23-21-24(17-6-2-1-3-7-17)20(14-30-21)15-5-4-8-18(13-15)25(26)27/h4-5,8-14,17H,1-3,6-7H2,(H2,22,28,29)/b23-21-
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Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50106412
PNG
(CHEMBL3601884)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccc(c2)[N+]([O-])=O)n1C1CCCCC1
Show InChI InChI=1S/C21H22N4O4S2/c22-31(28,29)19-11-9-16(10-12-19)23-21-24(17-6-2-1-3-7-17)20(14-30-21)15-5-4-8-18(13-15)25(26)27/h4-5,8-14,17H,1-3,6-7H2,(H2,22,28,29)/b23-21-
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Article
PubMed
193n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50106412
PNG
(CHEMBL3601884)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccc(c2)[N+]([O-])=O)n1C1CCCCC1
Show InChI InChI=1S/C21H22N4O4S2/c22-31(28,29)19-11-9-16(10-12-19)23-21-24(17-6-2-1-3-7-17)20(14-30-21)15-5-4-8-18(13-15)25(26)27/h4-5,8-14,17H,1-3,6-7H2,(H2,22,28,29)/b23-21-
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Article
PubMed
1.77E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair