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BDBM50190255 2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nitrophenyl)benzenecarbohydrazonothioate::CHEMBL385195

SMILES: Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=QFJGKFOVRSXICQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50190255   
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))
BDBM50190255
PNG
(2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...)
Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7|
Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50190255
PNG
(2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...)
Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7|
Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50190255
PNG
(2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...)
Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7|
Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190255
PNG
(2-(aminosulfonyl)-5-chloro-4-methylphenyl N-(4-nit...)
Show SMILES Cc1cc(c(SC(=NNc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cc1Cl)S(N)(=O)=O |w:7.7|
Show InChI InChI=1S/C20H17ClN4O4S2/c1-13-11-19(31(22,28)29)18(12-17(13)21)30-20(14-5-3-2-4-6-14)24-23-15-7-9-16(10-8-15)25(26)27/h2-12,23H,1H3,(H2,22,28,29)
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3.79E+5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair