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SMILES: COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O

InChI Key: InChIKey=XCFBYGHTZLADMA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50515510   
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 9


(Homo sapiens (Human))
BDBM50515510
PNG
(CHEMBL4547526)
Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O8S/c1-35-15-5-9-20(19(11-15)24(31)32)26-21(28)14-4-8-17-18(10-14)23(30)27(22(17)29)12-13-2-6-16(7-3-13)36(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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36n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111573
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50515510
PNG
(CHEMBL4547526)
Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O8S/c1-35-15-5-9-20(19(11-15)24(31)32)26-21(28)14-4-8-17-18(10-14)23(30)27(22(17)29)12-13-2-6-16(7-3-13)36(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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52n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111573
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50515510
PNG
(CHEMBL4547526)
Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O8S/c1-35-15-5-9-20(19(11-15)24(31)32)26-21(28)14-4-8-17-18(10-14)23(30)27(22(17)29)12-13-2-6-16(7-3-13)36(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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75n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111573
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50515510
PNG
(CHEMBL4547526)
Show SMILES COc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O8S/c1-35-15-5-9-20(19(11-15)24(31)32)26-21(28)14-4-8-17-18(10-14)23(30)27(22(17)29)12-13-2-6-16(7-3-13)36(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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457n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111573
More data for this
Ligand-Target Pair