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Compile Data Set for Download or QSAR

Found 48 hits from Egyptian Petroleum Research Institute   
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))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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3.40n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50094370
PNG
(CHEMBL22821 | Sulfonamide, 5)
Show SMILES CCNC1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8?/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50094370
PNG
(CHEMBL22821 | Sulfonamide, 5)
Show SMILES CCNC1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8?/m0/s1
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9n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM91708
PNG
(Sulfonamide, 8)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1
Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)
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12n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM91712
PNG
(Sulfonamide, 14)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)
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21n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM91708
PNG
(Sulfonamide, 8)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1
Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)
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21n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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22n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM91710
PNG
(Sulfonamide, 12)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)
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23n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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24n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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27n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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34n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM91708
PNG
(Sulfonamide, 8)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1
Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)
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34n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM91712
PNG
(Sulfonamide, 14)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)
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35n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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37n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM91710
PNG
(Sulfonamide, 12)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)
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43n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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50n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50094370
PNG
(CHEMBL22821 | Sulfonamide, 5)
Show SMILES CCNC1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8?/m0/s1
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52n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM91709
PNG
(Sulfonamide, 11)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O8S4/c25-37(29,30)21-13-5-19(6-14-21)27-39(33,34)23-9-1-17(2-10-23)18-3-11-24(12-4-18)40(35,36)28-20-7-15-22(16-8-20)38(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
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59n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM91709
PNG
(Sulfonamide, 11)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O8S4/c25-37(29,30)21-13-5-19(6-14-21)27-39(33,34)23-9-1-17(2-10-23)18-3-11-24(12-4-18)40(35,36)28-20-7-15-22(16-8-20)38(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
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64n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM91711
PNG
(Sulfonamide, 13)
Show SMILES NS(=O)(=O)c1cc(c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C24H22Cl2N6O12S6/c25-17-9-19(23(47(29,37)38)11-21(17)45(27,33)34)31-49(41,42)15-5-1-13(2-6-15)14-3-7-16(8-4-14)50(43,44)32-20-10-18(26)22(46(28,35)36)12-24(20)48(30,39)40/h1-12,31-32H,(H2,27,33,34)(H2,28,35,36)(H2,29,37,38)(H2,30,39,40)
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79n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM91711
PNG
(Sulfonamide, 13)
Show SMILES NS(=O)(=O)c1cc(c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C24H22Cl2N6O12S6/c25-17-9-19(23(47(29,37)38)11-21(17)45(27,33)34)31-49(41,42)15-5-1-13(2-6-15)14-3-7-16(8-4-14)50(43,44)32-20-10-18(26)22(46(28,35)36)12-24(20)48(30,39)40/h1-12,31-32H,(H2,27,33,34)(H2,28,35,36)(H2,29,37,38)(H2,30,39,40)
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129n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM91709
PNG
(Sulfonamide, 11)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O8S4/c25-37(29,30)21-13-5-19(6-14-21)27-39(33,34)23-9-1-17(2-10-23)18-3-11-24(12-4-18)40(35,36)28-20-7-15-22(16-8-20)38(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
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145n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM91712
PNG
(Sulfonamide, 14)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)
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154n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM91710
PNG
(Sulfonamide, 12)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)
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213n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM91711
PNG
(Sulfonamide, 13)
Show SMILES NS(=O)(=O)c1cc(c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C24H22Cl2N6O12S6/c25-17-9-19(23(47(29,37)38)11-21(17)45(27,33)34)31-49(41,42)15-5-1-13(2-6-15)14-3-7-16(8-4-14)50(43,44)32-20-10-18(26)22(46(28,35)36)12-24(20)48(30,39)40/h1-12,31-32H,(H2,27,33,34)(H2,28,35,36)(H2,29,37,38)(H2,30,39,40)
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362n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM91710
PNG
(Sulfonamide, 12)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)
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604n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM91709
PNG
(Sulfonamide, 11)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O8S4/c25-37(29,30)21-13-5-19(6-14-21)27-39(33,34)23-9-1-17(2-10-23)18-3-11-24(12-4-18)40(35,36)28-20-7-15-22(16-8-20)38(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
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675n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM91712
PNG
(Sulfonamide, 14)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)
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693n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM91711
PNG
(Sulfonamide, 13)
Show SMILES NS(=O)(=O)c1cc(c(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C24H22Cl2N6O12S6/c25-17-9-19(23(47(29,37)38)11-21(17)45(27,33)34)31-49(41,42)15-5-1-13(2-6-15)14-3-7-16(8-4-14)50(43,44)32-20-10-18(26)22(46(28,35)36)12-24(20)48(30,39)40/h1-12,31-32H,(H2,27,33,34)(H2,28,35,36)(H2,29,37,38)(H2,30,39,40)
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1.24E+3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM91708
PNG
(Sulfonamide, 8)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1
Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)
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3.45E+3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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4.50E+4n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50094370
PNG
(CHEMBL22821 | Sulfonamide, 5)
Show SMILES CCNC1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8?/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair