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BDBM50381325 CHEMBL2019140

SMILES: Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=YLWCNINLBDPMSO-UHFFFAOYSA-N

Data: 13 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50381325   
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))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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2.27E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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2.48E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.28E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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7.95E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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8.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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9.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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9.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 3.62E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 4.61E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair