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BDBM50035674 CHEMBL2377770

SMILES: NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl

InChI Key: InChIKey=VOULHARHCIQTLL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50035674   
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))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
PDB
MMDB

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KEGG

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PC sid
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Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)

More data for this
Ligand-Target Pair