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BDBM50133392 CHEMBL3632828

SMILES: NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GMVGWUYJGJHIMP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50133392   
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))
BDBM50133392
PNG
(CHEMBL3632828)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O3S/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(15,17)18/h1-8H,(H2,14,16)(H2,15,17,18)
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5.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50133392
PNG
(CHEMBL3632828)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O3S/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(15,17)18/h1-8H,(H2,14,16)(H2,15,17,18)
PDB
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8.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50133392
PNG
(CHEMBL3632828)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O3S/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(15,17)18/h1-8H,(H2,14,16)(H2,15,17,18)
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14n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50133392
PNG
(CHEMBL3632828)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O3S/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(15,17)18/h1-8H,(H2,14,16)(H2,15,17,18)
PDB
MMDB

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68n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50133392
PNG
(CHEMBL3632828)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N2O3S/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(15,17)18/h1-8H,(H2,14,16)(H2,15,17,18)
PDB
MMDB

NCI pathway
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823n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair