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PubMed code 15908204

Compile data set for download or QSAR
Found 116 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167422
PNG
(CHEMBL196462 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2Cc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:45,t:11|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,11,17H,9-10H2,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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1.90n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167413
PNG
(CHEMBL372750 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(CCN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2CCc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:47,t:12|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,12,18H,9-11H2,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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2.70n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167421
PNG
(CHEMBL370172 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(CN1c1ccc(cc1)S(N)(=O)=O)=COc1ccccc21 |c:46,t:13|
Show InChI InChI=1S/2C16H14N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-8,10,16H,9H2,(H2,17,20,21);2*1H;/q2*-2;;;+6/p-2
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3.20n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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 |w:3.2|
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XI


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167405
PNG
(CHEMBL539686 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CC[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2CCc2ccc(cc2)S(N)(=O)=O)cc1 |c:31,42,t:10,12|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,11-12,18H,9-10H2,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-11+;;;
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3.60n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167415
PNG
(CHEMBL371127 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4c2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:47,t:6|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-8,10,17H,9H2,1H3,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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4.90n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167414
PNG
(CHEMBL274255 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4Cc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:49,t:6|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,11,18H,9-10H2,1H3,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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5.30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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5.5n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167405
PNG
(CHEMBL539686 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CC[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2CCc2ccc(cc2)S(N)(=O)=O)cc1 |c:31,42,t:10,12|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,11-12,18H,9-10H2,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-11+;;;
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5.90n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167405
PNG
(CHEMBL539686 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CC[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2CCc2ccc(cc2)S(N)(=O)=O)cc1 |c:31,42,t:10,12|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,11-12,18H,9-10H2,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-11+;;;
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6.30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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6.80n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167413
PNG
(CHEMBL372750 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(CCN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2CCc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:47,t:12|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,12,18H,9-11H2,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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7.30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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7.40n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167407
PNG
(CHEMBL371504 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4Cc1ccc(cc1)S(N)(=O)=O |c:34,46,t:6,8|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,10-11,18H,9H2,1H3,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-10+;;;
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7.5n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167412
PNG
(CHEMBL382309 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3CN(CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4CCc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:51,t:6|
Show InChI InChI=1S/2C19H20N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10,12,19H,8-9,11H2,1H3,(H2,20,23,24);2*1H;/q2*-2;;;+6/p-2
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7.80n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167422
PNG
(CHEMBL196462 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2Cc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:45,t:11|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,11,17H,9-10H2,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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8.10n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167401
PNG
(CHEMBL193432 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4CCc1ccc(cc1)S(N)(=O)=O |c:35,47,t:6,8|
Show InChI InChI=1S/2C19H19N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10-12,19H,8-9H2,1H3,(H2,20,23,24);2*1H;/q2*-1;;;+6/p-2/b2*21-11+;;;
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8.20n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167407
PNG
(CHEMBL371504 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4Cc1ccc(cc1)S(N)(=O)=O |c:34,46,t:6,8|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,10-11,18H,9H2,1H3,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-10+;;;
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8.5n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167421
PNG
(CHEMBL370172 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(CN1c1ccc(cc1)S(N)(=O)=O)=COc1ccccc21 |c:46,t:13|
Show InChI InChI=1S/2C16H14N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-8,10,16H,9H2,(H2,17,20,21);2*1H;/q2*-2;;;+6/p-2
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10n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167400
PNG
(CHEMBL193958 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4c1ccc(cc1)S(N)(=O)=O |c:33,45,t:6,8|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-10,17H,1H3,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-9+;;;
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10n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167413
PNG
(CHEMBL372750 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(CCN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2CCc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:47,t:12|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,12,18H,9-11H2,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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11n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167412
PNG
(CHEMBL382309 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3CN(CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4CCc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:51,t:6|
Show InChI InChI=1S/2C19H20N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10,12,19H,8-9,11H2,1H3,(H2,20,23,24);2*1H;/q2*-2;;;+6/p-2
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12n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167401
PNG
(CHEMBL193432 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4CCc1ccc(cc1)S(N)(=O)=O |c:35,47,t:6,8|
Show InChI InChI=1S/2C19H19N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10-12,19H,8-9H2,1H3,(H2,20,23,24);2*1H;/q2*-1;;;+6/p-2/b2*21-11+;;;
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12n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167422
PNG
(CHEMBL196462 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2Cc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:45,t:11|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,11,17H,9-10H2,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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12n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167405
PNG
(CHEMBL539686 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CC[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2CCc2ccc(cc2)S(N)(=O)=O)cc1 |c:31,42,t:10,12|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,11-12,18H,9-10H2,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-11+;;;
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13n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167412
PNG
(CHEMBL382309 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3CN(CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4CCc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:51,t:6|
Show InChI InChI=1S/2C19H20N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10,12,19H,8-9,11H2,1H3,(H2,20,23,24);2*1H;/q2*-2;;;+6/p-2
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14n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167414
PNG
(CHEMBL274255 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4Cc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:49,t:6|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,11,18H,9-10H2,1H3,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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14n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167407
PNG
(CHEMBL371504 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4Cc1ccc(cc1)S(N)(=O)=O |c:34,46,t:6,8|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,10-11,18H,9H2,1H3,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-10+;;;
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14n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167408
PNG
(4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+
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14n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167415
PNG
(CHEMBL371127 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4c2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:47,t:6|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-8,10,17H,9H2,1H3,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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15n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167413
PNG
(CHEMBL372750 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(CCN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2CCc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:47,t:12|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21;;;/h2*1-8,12,18H,9-11H2,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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15n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167422
PNG
(CHEMBL196462 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(CN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2Cc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:45,t:11|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,11,17H,9-10H2,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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15n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167402
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(\N=C\c3coc4ccccc4c3=O)n2)cc1
Show InChI InChI=1S/C20H15N5O4S/c21-30(27,28)15-7-5-14(6-8-15)24-18-9-10-22-20(25-18)23-11-13-12-29-17-4-2-1-3-16(17)19(13)26/h1-12H,(H2,21,27,28)(H,22,24,25)/b23-11+
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16n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167421
PNG
(CHEMBL370172 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(CN1c1ccc(cc1)S(N)(=O)=O)=COc1ccccc21 |c:46,t:13|
Show InChI InChI=1S/2C16H14N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-8,10,16H,9H2,(H2,17,20,21);2*1H;/q2*-2;;;+6/p-2
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17n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167401
PNG
(CHEMBL193432 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4CCc1ccc(cc1)S(N)(=O)=O |c:35,47,t:6,8|
Show InChI InChI=1S/2C19H19N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10-12,19H,8-9H2,1H3,(H2,20,23,24);2*1H;/q2*-1;;;+6/p-2/b2*21-11+;;;
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18n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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19n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167406
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)ethyl)...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C18H16N2O4S/c19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21/h1-8,11-12H,9-10H2,(H2,19,22,23)/b20-11+
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21n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167402
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(\N=C\c3coc4ccccc4c3=O)n2)cc1
Show InChI InChI=1S/C20H15N5O4S/c21-30(27,28)15-7-5-14(6-8-15)24-18-9-10-22-20(25-18)23-11-13-12-29-17-4-2-1-3-16(17)19(13)26/h1-12H,(H2,21,27,28)(H,22,24,25)/b23-11+
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21n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167414
PNG
(CHEMBL274255 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4Cc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:49,t:6|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,11,18H,9-10H2,1H3,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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21n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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24n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167406
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)ethyl)...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C18H16N2O4S/c19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21/h1-8,11-12H,9-10H2,(H2,19,22,23)/b20-11+
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26n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167404
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...)
Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+
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27n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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 |w:3.2|
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167412
PNG
(CHEMBL382309 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3CN(CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4CCc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:51,t:6|
Show InChI InChI=1S/2C19H20N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10,12,19H,8-9,11H2,1H3,(H2,20,23,24);2*1H;/q2*-2;;;+6/p-2
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27n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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28n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167408
PNG
(4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+
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29n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167415
PNG
(CHEMBL371127 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4c2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:47,t:6|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-8,10,17H,9H2,1H3,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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29n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167411
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C19H18N2O4S/c1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24/h2-7,10-12H,8-9H2,1H3,(H2,20,23,24)/b21-11+
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30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167404
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...)
Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+
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30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167423
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O6S2/c1-9-2-3-14-11(4-9)17(25)10(8-30-14)7-24-13-5-12(18(19,20)21)15(31(22,26)27)6-16(13)32(23,28)29/h2-8H,1H3,(H2,22,26,27)(H2,23,28,29)/b24-7+
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30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167414
PNG
(CHEMBL274255 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4Cc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:49,t:6|
Show InChI InChI=1S/2C18H18N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,11,18H,9-10H2,1H3,(H2,19,22,23);2*1H;/q2*-2;;;+6/p-2
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30n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167423
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O6S2/c1-9-2-3-14-11(4-9)17(25)10(8-30-14)7-24-13-5-12(18(19,20)21)15(31(22,26)27)6-16(13)32(23,28)29/h2-8H,1H3,(H2,22,26,27)(H2,23,28,29)/b24-7+
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32n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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32n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167408
PNG
(4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+
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32n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167406
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)ethyl)...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C18H16N2O4S/c19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21/h1-8,11-12H,9-10H2,(H2,19,22,23)/b20-11+
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33n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167402
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(\N=C\c3coc4ccccc4c3=O)n2)cc1
Show InChI InChI=1S/C20H15N5O4S/c21-30(27,28)15-7-5-14(6-8-15)24-18-9-10-22-20(25-18)23-11-13-12-29-17-4-2-1-3-16(17)19(13)26/h1-12H,(H2,21,27,28)(H,22,24,25)/b23-11+
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33n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167406
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)ethyl)...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C18H16N2O4S/c19-25(22,23)15-7-5-13(6-8-15)9-10-20-11-14-12-24-17-4-2-1-3-16(17)18(14)21/h1-8,11-12H,9-10H2,(H2,19,22,23)/b20-11+
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35n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167420
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H14N2O4S/c1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22/h2-10H,1H3,(H2,18,21,22)/b19-9+
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35n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167415
PNG
(CHEMBL371127 | sulfanilamide derivative)
Show SMILES Cc1ccc2OC=C3CN(c4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4c2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:47,t:6|
Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22;;;/h2*2-8,10,17H,9H2,1H3,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2
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36n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167402
PNG
(4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)pyrimi...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(\N=C\c3coc4ccccc4c3=O)n2)cc1
Show InChI InChI=1S/C20H15N5O4S/c21-30(27,28)15-7-5-14(6-8-15)24-18-9-10-22-20(25-18)23-11-13-12-29-17-4-2-1-3-16(17)19(13)26/h1-12H,(H2,21,27,28)(H,22,24,25)/b23-11+
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37n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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37n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167411
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C19H18N2O4S/c1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24/h2-7,10-12H,8-9H2,1H3,(H2,20,23,24)/b21-11+
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37n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167408
PNG
(4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+
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38n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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39n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167418
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\c3nccc(Nc4ccc(cc4)S(N)(=O)=O)n3)c(=O)c2c1
Show InChI InChI=1S/C21H17N5O4S/c1-13-2-7-18-17(10-13)20(27)14(12-30-18)11-24-21-23-9-8-19(26-21)25-15-3-5-16(6-4-15)31(22,28)29/h2-12H,1H3,(H2,22,28,29)(H,23,25,26)/b24-11+
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41n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167416
PNG
(4-(((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino...)
Show SMILES Cc1ccc2occ(\C=N\Cc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O4S/c1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23/h2-8,10-11H,9H2,1H3,(H2,19,22,23)/b20-10+
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44n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167411
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C19H18N2O4S/c1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24/h2-7,10-12H,8-9H2,1H3,(H2,20,23,24)/b21-11+
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44n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167416
PNG
(4-(((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino...)
Show SMILES Cc1ccc2occ(\C=N\Cc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O4S/c1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23/h2-8,10-11H,9H2,1H3,(H2,19,22,23)/b20-10+
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45n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167420
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H14N2O4S/c1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22/h2-10H,1H3,(H2,18,21,22)/b19-9+
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48n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167416
PNG
(4-(((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino...)
Show SMILES Cc1ccc2occ(\C=N\Cc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O4S/c1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23/h2-8,10-11H,9H2,1H3,(H2,19,22,23)/b20-10+
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50n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167401
PNG
(CHEMBL193432 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4CCc1ccc(cc1)S(N)(=O)=O |c:35,47,t:6,8|
Show InChI InChI=1S/2C19H19N2O4S.2ClH.Zn/c2*1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24;;;/h2*2-7,10-12,19H,8-9H2,1H3,(H2,20,23,24);2*1H;/q2*-1;;;+6/p-2/b2*21-11+;;;
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51n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167420
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H14N2O4S/c1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22/h2-10H,1H3,(H2,18,21,22)/b19-9+
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52n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167421
PNG
(CHEMBL370172 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(CN1c1ccc(cc1)S(N)(=O)=O)=COc1ccccc21 |c:46,t:13|
Show InChI InChI=1S/2C16H14N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-8,10,16H,9H2,(H2,17,20,21);2*1H;/q2*-2;;;+6/p-2
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54n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167416
PNG
(4-(((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino...)
Show SMILES Cc1ccc2occ(\C=N\Cc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O4S/c1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23/h2-8,10-11H,9H2,1H3,(H2,19,22,23)/b20-10+
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55n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167411
PNG
(4-(2-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneami...)
Show SMILES Cc1ccc2occ(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C19H18N2O4S/c1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24/h2-7,10-12H,8-9H2,1H3,(H2,20,23,24)/b21-11+
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60n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167407
PNG
(CHEMBL371504 | sulfanilamide derivative )
Show SMILES Cc1ccc2OC=C3C=[N+](Cc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(=COc2ccc(C)cc12)C=[N+]4Cc1ccc(cc1)S(N)(=O)=O |c:34,46,t:6,8|
Show InChI InChI=1S/2C18H17N2O4S.2ClH.Zn/c2*1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23;;;/h2*2-8,10-11,18H,9H2,1H3,(H2,19,22,23);2*1H;/q2*-1;;;+6/p-2/b2*20-10+;;;
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62n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167420
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H14N2O4S/c1-11-2-7-16-15(8-11)17(20)12(10-23-16)9-19-13-3-5-14(6-4-13)24(18,21)22/h2-10H,1H3,(H2,18,21,22)/b19-9+
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62n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167423
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O6S2/c1-9-2-3-14-11(4-9)17(25)10(8-30-14)7-24-13-5-12(18(19,20)21)15(31(22,26)27)6-16(13)32(23,28)29/h2-8H,1H3,(H2,22,26,27)(H2,23,28,29)/b24-7+
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85n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167404
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...)
Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+
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94n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167417
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C16H12N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-10H,(H2,17,20,21)/b18-9+
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100n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167404
PNG
(4-((4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifl...)
Show SMILES NS(=O)(=O)c1cc(c(cc1\N=C\c1coc2ccccc2c1=O)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C17H12F3N3O6S2/c18-17(19,20)11-5-12(15(31(22,27)28)6-14(11)30(21,25)26)23-7-9-8-29-13-4-2-1-3-10(13)16(9)24/h1-8H,(H2,21,25,26)(H2,22,27,28)/b23-7+
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102n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167423
PNG
(4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)...)
Show SMILES Cc1ccc2occ(\C=N\c3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C18H14F3N3O6S2/c1-9-2-3-14-11(4-9)17(25)10(8-30-14)7-24-13-5-12(18(19,20)21)15(31(22,26)27)6-16(13)32(23,28)29/h2-8H,1H3,(H2,22,26,27)(H2,23,28,29)/b24-7+
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133n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
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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280n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167410
PNG
(1N-amino(imino)methyl-4-[1-(6-methyl-4-oxo-4H-3-ch...)
Show SMILES Cc1ccc2occ(C=Nc3ccc(cc3)S(=O)(=O)NC(N)=N)c(=O)c2c1 |w:8.7|
Show InChI InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167419
PNG
(CHEMBL369923 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(C[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2Cc2ccc(cc2)S(N)(=O)=O)cc1 |c:30,41,t:9,11|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,10-11,17H,9H2,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-10+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167403
PNG
(CHEMBL369922 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]1=CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(=COc3ccccc23)C=[N+]1c1ccc(cc1)S(N)(=O)=O |c:32,43,t:11,13|
Show InChI InChI=1S/2C16H13N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-10,16H,(H2,17,20,21);2*1H;/q2*-1;;;+6/p-2/b2*18-9+;;;
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>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167403
PNG
(CHEMBL369922 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]1=CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(=COc3ccccc23)C=[N+]1c1ccc(cc1)S(N)(=O)=O |c:32,43,t:11,13|
Show InChI InChI=1S/2C16H13N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-10,16H,(H2,17,20,21);2*1H;/q2*-1;;;+6/p-2/b2*18-9+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167419
PNG
(CHEMBL369923 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(C[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2Cc2ccc(cc2)S(N)(=O)=O)cc1 |c:30,41,t:9,11|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,10-11,17H,9H2,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-10+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167403
PNG
(CHEMBL369922 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]1=CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(=COc3ccccc23)C=[N+]1c1ccc(cc1)S(N)(=O)=O |c:32,43,t:11,13|
Show InChI InChI=1S/2C16H13N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-10,16H,(H2,17,20,21);2*1H;/q2*-1;;;+6/p-2/b2*18-9+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167419
PNG
(CHEMBL369923 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(C[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2Cc2ccc(cc2)S(N)(=O)=O)cc1 |c:30,41,t:9,11|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,10-11,17H,9H2,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-10+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167410
PNG
(1N-amino(imino)methyl-4-[1-(6-methyl-4-oxo-4H-3-ch...)
Show SMILES Cc1ccc2occ(C=Nc3ccc(cc3)S(=O)(=O)NC(N)=N)c(=O)c2c1 |w:8.7|
Show InChI InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167410
PNG
(1N-amino(imino)methyl-4-[1-(6-methyl-4-oxo-4H-3-ch...)
Show SMILES Cc1ccc2occ(C=Nc3ccc(cc3)S(=O)(=O)NC(N)=N)c(=O)c2c1 |w:8.7|
Show InChI InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167403
PNG
(CHEMBL369922 | sulfanilamide derivative )
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]1=CC2=COc3ccccc3C2O[Zn]11(Cl)(Cl)OC2C(=COc3ccccc23)C=[N+]1c1ccc(cc1)S(N)(=O)=O |c:32,43,t:11,13|
Show InChI InChI=1S/2C16H13N2O4S.2ClH.Zn/c2*17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19;;;/h2*1-10,16H,(H2,17,20,21);2*1H;/q2*-1;;;+6/p-2/b2*18-9+;;;
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Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167410
PNG
(1N-amino(imino)methyl-4-[1-(6-methyl-4-oxo-4H-3-ch...)
Show SMILES Cc1ccc2occ(C=Nc3ccc(cc3)S(=O)(=O)NC(N)=N)c(=O)c2c1 |w:8.7|
Show InChI InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167419
PNG
(CHEMBL369923 | sulfanilamide derivative)
Show SMILES NS(=O)(=O)c1ccc(C[N+]2=CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(=COc4ccccc34)C=[N+]2Cc2ccc(cc2)S(N)(=O)=O)cc1 |c:30,41,t:9,11|
Show InChI InChI=1S/2C17H15N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,10-11,17H,9H2,(H2,18,21,22);2*1H;/q2*-1;;;+6/p-2/b2*19-10+;;;
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>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%