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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 4808   
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 7


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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0.5 -52.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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0.900 -50.8n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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0.900 -50.8n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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1.30 -49.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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3.80 -47.3n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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4.70 -46.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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4.90 -46.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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5.10 -46.5n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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6 -46.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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7.80 -45.5n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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9 -45.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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10 -44.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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10 -44.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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13 -44.3n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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13 -44.3n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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15 -43.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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20 -43.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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30 -42.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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30 -42.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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31 -42.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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34 -41.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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34 -41.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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35 -41.8n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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39 -41.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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43 -41.3n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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45 -41.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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45 -41.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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46 -41.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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47 -41.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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56 -40.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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56 -40.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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56 -40.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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58 -40.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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63 -40.4n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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78 -39.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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81 -39.8n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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89 -39.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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91 -39.5n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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95 -39.4n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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117 -38.9n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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134 -38.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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135 -38.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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250 -37.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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374 -36.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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430 -35.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM82104
PNG
(Investigational agent, 5)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:13:14:20.12.21:17,15:14:20:16.21.17|
Show InChI InChI=1S/C13H19N5O3S2/c14-23(20,21)12-18-17-11(22-12)15-10(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,20,21)(H2,15,16,17,19)/t7-,8+,9-,13-
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810 -34.2n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |r,THB:12:13:19.11.20:16,14:13:19:15.20.16|
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
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850 -34.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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1.45E+3 -32.8n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50210256
PNG
(CHEMBL26300 | Sulfamic acid (3aS,5aR,8aR,8bS)-2,2,...)
Show SMILES CC1(C)O[C@@H]2CC[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
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1.46E+3 -32.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM26999
PNG
(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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1.54E+3 -32.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
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