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BDBM50400503 CHEMBL2203349

SMILES: Cc1ccc(cc1)S(=O)(=O)NNC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O

InChI Key: InChIKey=WYAGXSPFPUDAGV-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 = 50400503   
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))
BDBM50400503
PNG
(CHEMBL2203349)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-10-2-4-11(5-3-10)26(23,24)17-16-14(20)9-18-7-6-12(19)13(8-18)25(15,21)22/h2-8,17H,9H2,1H3,(H,16,20)(H2,15,21,22)
PDB
MMDB

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PC sid
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11.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 56: 282-291 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.006
BindingDB Entry DOI: 10.7270/Q2C82BFH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50400503
PNG
(CHEMBL2203349)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-10-2-4-11(5-3-10)26(23,24)17-16-14(20)9-18-7-6-12(19)13(8-18)25(15,21)22/h2-8,17H,9H2,1H3,(H,16,20)(H2,15,21,22)
PDB
MMDB

Reactome pathway
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PC sid
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Article
PubMed
79.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 56: 282-291 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.006
BindingDB Entry DOI: 10.7270/Q2C82BFH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50400503
PNG
(CHEMBL2203349)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-10-2-4-11(5-3-10)26(23,24)17-16-14(20)9-18-7-6-12(19)13(8-18)25(15,21)22/h2-8,17H,9H2,1H3,(H,16,20)(H2,15,21,22)
PDB
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NCI pathway
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Article
PubMed
224n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CA1 after 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 56: 282-291 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.006
BindingDB Entry DOI: 10.7270/Q2C82BFH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50400503
PNG
(CHEMBL2203349)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-10-2-4-11(5-3-10)26(23,24)17-16-14(20)9-18-7-6-12(19)13(8-18)25(15,21)22/h2-8,17H,9H2,1H3,(H,16,20)(H2,15,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
318n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CA2 after 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 56: 282-291 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.006
BindingDB Entry DOI: 10.7270/Q2C82BFH
More data for this
Ligand-Target Pair