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SMILES: CCOC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1

InChI Key: InChIKey=JMNRPGJWDNPKHW-HJZXASKDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 238303   
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 1


(Homo sapiens (Human))
BDBM238303
PNG
(Ethyl-2-(2-(3-(4-benzoyl-5-phenyl-3-(4-sulfamoylph...)
Show SMILES CCOC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1
Show InChI InChI=1S/C40H32N6O7S/c1-2-53-40(50)35(38(48)28-17-10-5-11-18-28)44-43-30-19-12-20-31(25-30)46-36(26-13-6-3-7-14-26)33(37(47)27-15-8-4-9-16-27)34(45-46)39(49)42-29-21-23-32(24-22-29)54(41,51)52/h3-25,43H,2H2,1H3,(H,42,49)(H2,41,51,52)/b44-35+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
2.90E+3 -7.55n/an/an/an/an/a7.425



Dumlupinar University



Assay Description
CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o...


J Enzyme Inhib Med Chem 28: 328-36 (2013)


Article DOI: 10.3109/14756366.2011.651465
BindingDB Entry DOI: 10.7270/Q2V986ZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238303
PNG
(Ethyl-2-(2-(3-(4-benzoyl-5-phenyl-3-(4-sulfamoylph...)
Show SMILES CCOC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1
Show InChI InChI=1S/C40H32N6O7S/c1-2-53-40(50)35(38(48)28-17-10-5-11-18-28)44-43-30-19-12-20-31(25-30)46-36(26-13-6-3-7-14-26)33(37(47)27-15-8-4-9-16-27)34(45-46)39(49)42-29-21-23-32(24-22-29)54(41,51)52/h3-25,43H,2H2,1H3,(H,42,49)(H2,41,51,52)/b44-35+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.24E+3 -6.93n/an/an/an/an/a7.425



Dumlupinar University



Assay Description
CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o...


J Enzyme Inhib Med Chem 28: 328-36 (2013)


Article DOI: 10.3109/14756366.2011.651465
BindingDB Entry DOI: 10.7270/Q2V986ZJ
More data for this
Ligand-Target Pair