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BDBM237282 Carbonic anhydrase inhibitors (CAIs), 3

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O

InChI Key: InChIKey=BVLQHNHKBYHNET-QWAQRTLVNA-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 = 237282   
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 3 (CA III)


(Bos taurus (Cattle))
BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.67E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.72E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.48E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237282
PNG
(Carbonic anhydrase inhibitors (CAIs), 3)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13|
Show InChI InChI=1/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.02E+4n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair