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BDBM50190252 5-(aminosulfonyl)-N-benzyl-2-chloro-4-mercaptobenzamide::CHEMBL215291

SMILES: NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S

InChI Key: InChIKey=MYHKNDAXFYJZDT-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 = 50190252   
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 2


(Homo sapiens (human))
BDBM50190252
PNG
(5-(aminosulfonyl)-N-benzyl-2-chloro-4-mercaptobenz...)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S
Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21)13(22(16,19)20)6-10(11)14(18)17-8-9-4-2-1-3-5-9/h1-7,21H,8H2,(H,17,18)(H2,16,19,20)
PDB
MMDB

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Article
PubMed
19.9n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190252
PNG
(5-(aminosulfonyl)-N-benzyl-2-chloro-4-mercaptobenz...)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S
Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21)13(22(16,19)20)6-10(11)14(18)17-8-9-4-2-1-3-5-9/h1-7,21H,8H2,(H,17,18)(H2,16,19,20)
PDB
MMDB

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Article
PubMed
35.6n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50190252
PNG
(5-(aminosulfonyl)-N-benzyl-2-chloro-4-mercaptobenz...)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S
Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21)13(22(16,19)20)6-10(11)14(18)17-8-9-4-2-1-3-5-9/h1-7,21H,8H2,(H,17,18)(H2,16,19,20)
PDB
MMDB

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Article
PubMed
40.9n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190252
PNG
(5-(aminosulfonyl)-N-benzyl-2-chloro-4-mercaptobenz...)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S
Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21)13(22(16,19)20)6-10(11)14(18)17-8-9-4-2-1-3-5-9/h1-7,21H,8H2,(H,17,18)(H2,16,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.97E+4n/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)

More data for this
Ligand-Target Pair