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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'ma' and Initial = 'gl'   
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))
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



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003025
PNG
(1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...)
Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against purified rat liver Oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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41n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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60n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165742
PNG
(CHEMBL194016 | Pyridine-2-carboxylic acid (5-merca...)
Show SMILES Sc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C8H6N4OS2/c13-6(5-3-1-2-4-9-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
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97n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50282635
PNG
((1R,7R,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...)
Show SMILES CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1
Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki


Bioorg Med Chem Lett 4: 1317-1318 (1994)


Article DOI: 10.1016/S0960-894X(01)80352-8
BindingDB Entry DOI: 10.7270/Q23T9H5P
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



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens (Human))
BDBM50282634
PNG
((1R,7S,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...)
Show SMILES CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1
Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1
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510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki


Bioorg Med Chem Lett 4: 1317-1318 (1994)


Article DOI: 10.1016/S0960-894X(01)80352-8
BindingDB Entry DOI: 10.7270/Q23T9H5P
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165739
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-butyl-4H-...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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2.60E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165736
PNG
(1-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-3-[(5-sulfany...)
Show SMILES Sc1nnc(NC(=O)NS(=O)(=O)Nc2nnc(S)s2)s1
Show InChI InChI=1S/C5H5N7O3S5/c13-1(6-2-7-9-4(16)18-2)11-20(14,15)12-3-8-10-5(17)19-3/h(H,8,12)(H,9,16)(H,10,17)(H2,6,7,11,13)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165745
PNG
(CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...)
Show SMILES CC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
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4.50E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165740
PNG
(3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...)
Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)
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7.00E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165743
PNG
(5-Amino-[1,3,4]thiadiazole-2-thiol | CHEMBL372507)
Show SMILES Nc1nnc(S)s1
Show InChI InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
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7.10E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165732
PNG
(5-(4-Nitro-phenylsulfanylamino)-[1,3,4]thiadiazole...)
Show SMILES [O-][N+](=O)c1ccc(SNc2n[n-]c(=[SH+])s2)cc1
Show InChI InChI=1S/C8H6N4O2S3/c13-12(14)5-1-3-6(4-2-5)17-11-7-9-10-8(15)16-7/h1-4H,(H2,9,10,11,15)
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7.30E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165748
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (5-mer...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C14H14N4O2S3/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)23(19,20)17-13-15-16-14(21)22-13/h3-8H,1-2H3,(H,15,17)(H,16,21)
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7.60E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165748
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (5-mer...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C14H14N4O2S3/c1-18(2)11-7-3-6-10-9(11)5-4-8-12(10)23(19,20)17-13-15-16-14(21)22-13/h3-8H,1-2H3,(H,15,17)(H,16,21)
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7.90E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165736
PNG
(1-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-3-[(5-sulfany...)
Show SMILES Sc1nnc(NC(=O)NS(=O)(=O)Nc2nnc(S)s2)s1
Show InChI InChI=1S/C5H5N7O3S5/c13-1(6-2-7-9-4(16)18-2)11-20(14,15)12-3-8-10-5(17)19-3/h(H,8,12)(H,9,16)(H,10,17)(H2,6,7,11,13)
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8.20E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165732
PNG
(5-(4-Nitro-phenylsulfanylamino)-[1,3,4]thiadiazole...)
Show SMILES [O-][N+](=O)c1ccc(SNc2n[n-]c(=[SH+])s2)cc1
Show InChI InChI=1S/C8H6N4O2S3/c13-12(14)5-1-3-6(4-2-5)17-11-7-9-10-8(15)16-7/h1-4H,(H2,9,10,11,15)
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8.30E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165735
PNG
(2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-nic...)
Show SMILES OC(=O)c1cccnc1C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H6N4O3S2/c14-6(11-8-12-13-9(17)18-8)5-4(7(15)16)2-1-3-10-5/h1-3H,(H,13,17)(H,15,16)(H,11,12,14)
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8.30E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165741
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-mercapto-[1,3,4]thiad...)
Show SMILES Sc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H6Cl2N4OS2/c10-5-2-1-4(3-6(5)11)12-7(16)13-8-14-15-9(17)18-8/h1-3H,(H,15,17)(H2,12,13,14,16)
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8.60E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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8.60E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165745
PNG
(CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...)
Show SMILES CC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
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8.80E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165738
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-(4-methox...)
Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O3S2/c1-28-17-8-6-16(7-9-17)25-20(23-24-21(25)29)14-2-10-18(11-3-14)30(26,27)19-12-4-15(22)5-13-19/h2-13H,1H3,(H,24,29)
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9.00E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165735
PNG
(2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-nic...)
Show SMILES OC(=O)c1cccnc1C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H6N4O3S2/c14-6(11-8-12-13-9(17)18-8)5-4(7(15)16)2-1-3-10-5/h1-3H,(H,13,17)(H,15,16)(H,11,12,14)
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9.10E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165741
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-mercapto-[1,3,4]thiad...)
Show SMILES Sc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H6Cl2N4OS2/c10-5-2-1-4(3-6(5)11)12-7(16)13-8-14-15-9(17)18-8/h1-3H,(H,15,17)(H2,12,13,14,16)
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9.10E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165743
PNG
(5-Amino-[1,3,4]thiadiazole-2-thiol | CHEMBL372507)
Show SMILES Nc1nnc(S)s1
Show InChI InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
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9.20E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165740
PNG
(3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...)
Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)
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9.30E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165743
PNG
(5-Amino-[1,3,4]thiadiazole-2-thiol | CHEMBL372507)
Show SMILES Nc1nnc(S)s1
Show InChI InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
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9.30E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165745
PNG
(CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...)
Show SMILES CC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
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9.50E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165744
PNG
(3-(4-(4-chlorophenylsulfonyl)phenyl)-4-propyl-1H-1...)
Show SMILES CCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O2S2/c1-2-11-21-16(19-20-17(21)24)12-3-7-14(8-4-12)25(22,23)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3,(H,20,24)
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9.80E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165739
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-butyl-4H-...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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9.80E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165738
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-(4-methox...)
Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O3S2/c1-28-17-8-6-16(7-9-17)25-20(23-24-21(25)29)14-2-10-18(11-3-14)30(26,27)19-12-4-15(22)5-13-19/h2-13H,1H3,(H,24,29)
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9.90E+3n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165742
PNG
(CHEMBL194016 | Pyridine-2-carboxylic acid (5-merca...)
Show SMILES Sc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C8H6N4OS2/c13-6(5-3-1-2-4-9-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
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1.02E+4n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165739
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-butyl-4H-...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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1.15E+4n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165730
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-p-tolyl-4...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O2S2/c1-14-2-8-17(9-3-14)25-20(23-24-21(25)28)15-4-10-18(11-5-15)29(26,27)19-12-6-16(22)7-13-19/h2-13H,1H3,(H,24,28)
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6.04E+4n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165737
PNG
(4-Butyl-5-[4-(4-chloro-benzenesulfonyl)-phenyl]-4H...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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9.68E+4n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165734
PNG
(3-(4-(phenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-tri...)
Show SMILES CCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-2-12-20-16(18-19-17(20)23)13-8-10-15(11-9-13)24(21,22)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,23)
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1.19E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165733
PNG
(2,3,4,5,6-Pentafluoro-N-(5-mercapto-[1,3,4]thiadia...)
Show SMILES Fc1c(F)c(F)c(C(=O)Nc2nnc(S)s2)c(F)c1F
Show InChI InChI=1S/C9H2F5N3OS2/c10-2-1(3(11)5(13)6(14)4(2)12)7(18)15-8-16-17-9(19)20-8/h(H,17,19)(H,15,16,18)
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1.29E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165738
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-(4-methox...)
Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O3S2/c1-28-17-8-6-16(7-9-17)25-20(23-24-21(25)29)14-2-10-18(11-3-14)30(26,27)19-12-4-15(22)5-13-19/h2-13H,1H3,(H,24,29)
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1.92E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165737
PNG
(4-Butyl-5-[4-(4-chloro-benzenesulfonyl)-phenyl]-4H...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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2.27E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165729
PNG
(CHEMBL383159 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1n[n-]c(=[SH+])s1
Show InChI InChI=1S/C8H6N4O4S3/c13-12(14)5-3-1-2-4-6(5)19(15,16)11-7-9-10-8(17)18-7/h1-4H,(H2,9,10,11,17)
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2.30E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165735
PNG
(2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-nic...)
Show SMILES OC(=O)c1cccnc1C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H6N4O3S2/c14-6(11-8-12-13-9(17)18-8)5-4(7(15)16)2-1-3-10-5/h1-3H,(H,13,17)(H,15,16)(H,11,12,14)
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2.42E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165730
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-p-tolyl-4...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O2S2/c1-14-2-8-17(9-3-14)25-20(23-24-21(25)28)15-4-10-18(11-5-15)29(26,27)19-12-6-16(22)7-13-19/h2-13H,1H3,(H,24,28)
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2.49E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50165730
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-p-tolyl-4...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O2S2/c1-14-2-8-17(9-3-14)25-20(23-24-21(25)28)15-4-10-18(11-5-15)29(26,27)19-12-6-16(22)7-13-19/h2-13H,1H3,(H,24,28)
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2.51E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165746
PNG
(5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-m-tolyl-4...)
Show SMILES Cc1cccc(c1)-n1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN3O2S2/c1-14-3-2-4-17(13-14)25-20(23-24-21(25)28)15-5-9-18(10-6-15)29(26,27)19-11-7-16(22)8-12-19/h2-13H,1H3,(H,24,28)
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2.54E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165732
PNG
(5-(4-Nitro-phenylsulfanylamino)-[1,3,4]thiadiazole...)
Show SMILES [O-][N+](=O)c1ccc(SNc2n[n-]c(=[SH+])s2)cc1
Show InChI InChI=1S/C8H6N4O2S3/c13-12(14)5-1-3-6(4-2-5)17-11-7-9-10-8(15)16-7/h1-4H,(H2,9,10,11,15)
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2.56E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165741
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-mercapto-[1,3,4]thiad...)
Show SMILES Sc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H6Cl2N4OS2/c10-5-2-1-4(3-6(5)11)12-7(16)13-8-14-15-9(17)18-8/h1-3H,(H,15,17)(H2,12,13,14,16)
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2.71E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50165740
PNG
(3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...)
Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)
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2.71E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165737
PNG
(4-Butyl-5-[4-(4-chloro-benzenesulfonyl)-phenyl]-4H...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-2-3-12-22-17(20-21-18(22)25)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,21,25)
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2.73E+5n/an/an/an/an/an/an/an/a



University of Bucharest

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2347-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.088
BindingDB Entry DOI: 10.7270/Q2348JW7
More data for this
Ligand-Target Pair
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