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BDBM50428402 CHEMBL2333976

SMILES: Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C

InChI Key: InChIKey=WLSILBGFVZSJFQ-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 = 50428402   
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 9


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
96n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.18E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428402
PNG
(CHEMBL2333976)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCC(Cl)=C
Show InChI InChI=1S/C9H11ClN2O2S/c1-7(10)6-12-15(13,14)9-4-2-8(11)3-5-9/h2-5,12H,1,6,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.63E+3n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair