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11 similar compounds to monomer 50027886

Compile data set for download or QSAR
Wt: 296.3
BDBM33533
Purchase
Wt: 280.3
BDBM50090672
Wt: 280.3
BDBM50090681
Wt: 482.5
BDBM50272912
Wt: 496.6
BDBM50272914
Wt: 256.3
BDBM50273271
Wt: 510.6
BDBM50272992
Wt: 270.3
BDBM50273273
Wt: 468.5
BDBM50272869
Wt: 383.4
BDBM50030563
Wt: 397.4
BDBM50030564
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 33533,50090672,50090681,50272912,50272914,50273271,50272992,50273273,50272869,50030563,50030564   
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))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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3.80n/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 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 6223-7 (2015)


Article DOI: 10.1016/j.bmc.2015.07.047
BindingDB Entry DOI: 10.7270/Q2D220FM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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3.80n/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 stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50030563
PNG
(CHEMBL3354131)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
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5.90n/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 by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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6n/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 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 6223-7 (2015)


Article DOI: 10.1016/j.bmc.2015.07.047
BindingDB Entry DOI: 10.7270/Q2D220FM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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6n/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 by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50030563
PNG
(CHEMBL3354131)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
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6.5n/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 stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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9.20n/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 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 6223-7 (2015)


Article DOI: 10.1016/j.bmc.2015.07.047
BindingDB Entry DOI: 10.7270/Q2D220FM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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9.20n/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 by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50030563
PNG
(CHEMBL3354131)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
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9.60n/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 by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50030563
PNG
(CHEMBL3354131)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-8-6-12(7-9-13)10-11-17-15(19)18-25(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
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22n/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 stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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67n/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 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 6223-7 (2015)


Article DOI: 10.1016/j.bmc.2015.07.047
BindingDB Entry DOI: 10.7270/Q2D220FM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50030564
PNG
(CHEMBL3354132)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O5S2/c1-12-2-6-15(7-3-12)26(23,24)19-16(20)18-11-10-13-4-8-14(9-5-13)25(17,21)22/h2-9H,10-11H2,1H3,(H2,17,21,22)(H2,18,19,20)
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67n/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 stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50090681
PNG
(1N-butyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | CHE...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C13H16N2O3S/c1-3-5-10-14-13(16)15-19(17,18)12-8-6-11(4-2)7-9-12/h2,6-9H,3,5,10H2,1H3,(H2,14,15,16)
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1.80E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme


J Med Chem 43: 2789-96 (2000)


Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50090672
PNG
(1N-isobutyl-2-[4-(1-ethynyl)phenylsulfonyl]urea | ...)
Show SMILES CC(C)CNC(=O)NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C13H16N2O3S/c1-4-11-5-7-12(8-6-11)19(17,18)15-13(16)14-9-10(2)3/h1,5-8,10H,9H2,2-3H3,(H2,14,15,16)
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4.80E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme


J Med Chem 43: 2789-96 (2000)


Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273271
PNG
(1-propyl-3-(m-tolylsulfonyl)urea | CHEMBL505578)
Show SMILES CCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C11H16N2O3S/c1-3-7-12-11(14)13-17(15,16)10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14)
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n/an/a 3.20E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272914
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[5-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C21H28N4O6S2/c1-16-8-6-10-18(14-16)32(28,29)24-20(26)22-12-4-3-5-13-23-21(27)25-33(30,31)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
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n/an/a 22n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272912
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[4-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S2/c1-15-7-5-9-17(13-15)31(27,28)23-19(25)21-11-3-4-12-22-20(26)24-32(29,30)18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 542n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272869
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[3-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H24N4O6S2/c1-14-6-3-8-16(12-14)30(26,27)22-18(24)20-10-5-11-21-19(25)23-31(28,29)17-9-4-7-15(2)13-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,20,22,24)(H2,21,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272992
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H30N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 24n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273271
PNG
(1-propyl-3-(m-tolylsulfonyl)urea | CHEMBL505578)
Show SMILES CCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C11H16N2O3S/c1-3-7-12-11(14)13-17(15,16)10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H2,12,13,14)
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n/an/a>1.00E+6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273273
PNG
(1-butyl-3-(m-tolylsulfonyl)urea | CHEMBL459134)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-8-13-12(15)14-18(16,17)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,13,14,15)
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n/an/a 8.68E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272992
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[6-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C22H30N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 12n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272912
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[4-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O6S2/c1-15-7-5-9-17(13-15)31(27,28)23-19(25)21-11-3-4-12-22-20(26)24-32(29,30)18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273273
PNG
(1-butyl-3-(m-tolylsulfonyl)urea | CHEMBL459134)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-8-13-12(15)14-18(16,17)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H2,13,14,15)
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n/an/a 1.78E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272914
PNG
(1-[(3-methylbenzene)sulfonyl]-3-[5-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C21H28N4O6S2/c1-16-8-6-10-18(14-16)32(28,29)24-20(26)22-12-4-3-5-13-23-21(27)25-33(30,31)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
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n/an/a 72n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM33533
PNG
(4-methyl-N-(4-methylphenyl)sulfonyl-1-piperidineca...)
Show SMILES CC1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)20(18,19)15-14(17)16-9-7-12(2)8-10-16/h3-6,12H,7-10H2,1-2H3,(H,15,17)
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n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50272869
PNG
(3-[(3-methylbenzene)sulfonyl]-1-[3-({[(3-methylben...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCCNC(=O)NS(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H24N4O6S2/c1-14-6-3-8-16(12-14)30(26,27)22-18(24)20-10-5-11-21-19(25)23-31(28,29)17-9-4-7-15(2)13-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,20,22,24)(H2,21,23,25)
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n/an/a 3.85E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair