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BDBM237231 hCA inhibitor, 1

SMILES: CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AVQUFASKLOBGCJ-RVDMUPIBNA-N

Data: 3 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 3 hits for monomerid = 237231   
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))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
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PC sid
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Article
PubMed
228 -9.05n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
PDB

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
943 -8.21n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
PDB
MMDB

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PC sid
UniChem
Article
PubMed
1.37E+4 -6.63n/an/an/an/an/a7.425



Ondokuz Mayis University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair