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3 similar compounds to monomer 50035682

Compile data set for download or QSAR
Wt: 304.3
BDBM50038955
Wt: 372.4
BDBM50035691
Wt: 330.3
BDBM50035681

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50038955,50035691,50035681   
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 12


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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0.850n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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5.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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6.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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22n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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22n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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26n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50038955
PNG
(CHEMBL65268 | N-(2-Methyl-benzyl)-4-sulfamoyl-benz...)
Show SMILES Cc1ccccc1CNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N2O3S/c1-11-4-2-3-5-13(11)10-17-15(18)12-6-8-14(9-7-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/an/a 2.20n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)


Article DOI: 10.1021/jm00039a023
BindingDB Entry DOI: 10.7270/Q2TX3DDV
More data for this
Ligand-Target Pair