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5 similar compounds to monomer 10872

Compile data set for download or QSAR
Wt: 396.5
BDBM10901
Wt: 340.4
BDBM16660
Purchase
Wt: 678.8
BDBM91710
Wt: 276.3
BDBM50346719
Purchase
Wt: 434.5
BDBM50395384

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 10901,16660,91710,50346719,50395384   
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 9


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



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


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


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


(Mus musculus (mouse))
BDBM16660
PNG
(4-(2-benzenesulfonamidoethyl)benzene-1-sulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
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26n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase (hpCA)


(Helicobacter pylori J99)
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
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27n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16660
PNG
(4-(2-benzenesulfonamidoethyl)benzene-1-sulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
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28n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM16660
PNG
(4-(2-benzenesulfonamidoethyl)benzene-1-sulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
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39n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


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


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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43n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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48n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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63n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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65n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM16660
PNG
(4-(2-benzenesulfonamidoethyl)benzene-1-sulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
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69n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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75n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50395384
PNG
(CHEMBL2164734)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)
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81n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
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94n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


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



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


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


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


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



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


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


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
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1.20E+4n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346719
PNG
(CHEMBL1269351)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
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n/an/a 2.67E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair