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BDBM60968 Carbonic anhydrase inhibitors (CAIs), 6

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

InChI Key: InChIKey=YVDYNLUAHHDIDD-CEQNZZHZNA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 60968   
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))
BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O
Show InChI InChI=1/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
820n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O
Show InChI InChI=1/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.75E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O
Show InChI InChI=1/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.78E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM60968
PNG
(Carbonic anhydrase inhibitors (CAIs), 6)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O
Show InChI InChI=1/C13H19NO5S/c1-8-2-4-9(5-3-8)20(18,19)14-12-10(15)6-7-11(16)13(12)17/h2-5,10-17H,6-7H2,1H3/t10-,11+,12-,13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9.34E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair