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SMILES: CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O

InChI Key: InChIKey=MTJKPLHHGVZHDG-UHFFFAOYSA-N

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 4 hits for monomerid = 50240192   
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))
BDBM50240192
PNG
(CHEMBL4080725)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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84n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240192
PNG
(CHEMBL4080725)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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349n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240192
PNG
(CHEMBL4080725)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240192
PNG
(CHEMBL4080725)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
PDB
MMDB

NCI pathway
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KEGG

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PubMed
1.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair