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248 molecules are shown

Wt: 127.1
BDBM50366038
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Wt: 252.2
BDBM50378564
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Wt: 425.6
BDBM50386168
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Wt: 108.1
BDBM50386177
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Wt: 494.4
BDBM50414250
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Wt: 18.9
BDBM26978
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Wt: 121.1
BDBM36181
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Wt: 320.1
BDBM50079043
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<<  First   |  Previous   |  Displayed 241 to 248 (of 248 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 173 hits for monomerid = 50366038,50378564,50386168,50386177,50414250,26978,36181,50079043   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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PubMed
0.0360n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II (CA2)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase II


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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40 -10.1n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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67 -9.78n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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71 -9.75n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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PubMed
174n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine CA4


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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174n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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445n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell lysates after 1 hr by gamma counting analysis


J Nat Prod 80: 3324-3329 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00853
BindingDB Entry DOI: 10.7270/Q2NK3HJW
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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1.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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1.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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1.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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1.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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2.41E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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2.41E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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2.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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2.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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3.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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3.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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4.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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4.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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4.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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4.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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5.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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5.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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5.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
PDB
MMDB

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6.10E+3n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 173 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 50366038,50378564,50386168,50386177,50414250,26978,36181,50079043
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.51-0.669-1.831.846.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.58-0.762-1.831.896.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.46-0.577-1.891.816.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.55-0.741-1.821.876.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36181
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-1.640.869-2.511.206.9025



NIST





J Phys Chem B 101: 87-100 (1997)