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4 similar compounds to monomer 50230199

Compile data set for download or QSAR
Wt: 333.7
BDBM50230215
Wt: 228.2
BDBM50230227
Wt: 442.4
BDBM50230197
Wt: 483.3
BDBM50230201

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50230215,50230227,50230197,50230201   
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 4


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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0.790n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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9.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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32n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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81n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1CC(=O)NCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C25H20Cl2N2O4/c26-19-5-3-6-20(27)25(19)29-21-7-2-1-4-17(21)14-23(30)28-12-13-32-18-10-8-16-9-11-24(31)33-22(16)15-18/h1-11,15,29H,12-14H2,(H,28,30)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)
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>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50230227
PNG
(CHEMBL356549)
Show SMILES Oc1ccc2c(nccc2n1)-c1cccs1
Show InChI InChI=1S/C12H8N2OS/c15-11-4-3-8-9(14-11)5-6-13-12(8)10-2-1-7-16-10/h1-7H,(H,14,15)
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n/an/a 140n/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cAMP PDE III.


J Med Chem 35: 4858-65 (1992)


Article DOI: 10.1021/jm00104a012
BindingDB Entry DOI: 10.7270/Q2H13480
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)
BDBM50230215
PNG
(CHEMBL543683)
Show SMILES Cl.NS(=O)(=O)OCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C12H15N3O4S.ClH/c13-20(16,17)19-9-1-8-18-12-4-2-11(3-5-12)15-7-6-14-10-15;/h2-7,10H,1,8-9H2,(H2,13,16,17);1H
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n/an/a 250n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.


J Med Chem 35: 4790-4 (1992)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair