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BDBM50037227 CHEMBL3356271

SMILES: NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1

InChI Key: InChIKey=GVLMKEXABAXFSB-UHFFFAOYSA-N

Data: 4 KI

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 = 50037227   
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))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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7.40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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27n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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739n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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PubMed
1.21E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair