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SMILES: NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=MTFPIMOQHHYBBV-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 = 50054649   
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))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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Article
PubMed
0.720n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


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


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


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


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
PDB
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Article
PubMed
25n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


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


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
82n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


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


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair