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3 similar compounds to monomer 11028

Compile data set for download or QSAR
Wt: 338.4
BDBM11030
Wt: 322.4
BDBM11032
Wt: 366.5
BDBM50266093

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11030,11032,50266093   
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))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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1.20n/an/an/an/an/an/an/an/a



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50266093
PNG
(CHEMBL456889 | N-(5-sulfamoyl-2,3-dihydro-1H-inden...)
Show SMILES CCCCCCCCCC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-18-13-10-15-14-16(25(20,23)24)11-12-17(15)18/h11-12,14,18H,2-10,13H2,1H3,(H,21,22)(H2,20,23,24)
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1.5n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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1.70n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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2.80n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50266093
PNG
(CHEMBL456889 | N-(5-sulfamoyl-2,3-dihydro-1H-inden...)
Show SMILES CCCCCCCCCC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-18-13-10-15-14-16(25(20,23)24)11-12-17(15)18/h11-12,14,18H,2-10,13H2,1H3,(H,21,22)(H2,20,23,24)
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5.70n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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6.20n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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8.20n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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32n/an/an/an/an/an/an/an/a



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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37.5n/an/an/an/an/an/an/an/a



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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108n/an/an/an/an/an/an/an/a



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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251n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


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


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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341n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


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


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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810 -8.22n/an/an/an/an/a7.522



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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880 -8.17n/an/an/an/an/a7.522



University of Namur



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: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50266093
PNG
(CHEMBL456889 | N-(5-sulfamoyl-2,3-dihydro-1H-inden...)
Show SMILES CCCCCCCCCC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-18-13-10-15-14-16(25(20,23)24)11-12-17(15)18/h11-12,14,18H,2-10,13H2,1H3,(H,21,22)(H2,20,23,24)
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1.03E+3n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


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


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair