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BDBM50037217 CHEMBL3356276

SMILES: COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O

InChI Key: InChIKey=YBGCWXAQRGYGHV-AWQFTUOYSA-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 = 50037217   
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))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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16n/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 12


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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50n/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 9


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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92n/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))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
PDB
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>5.00E+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