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BDBM50167409 1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-(E)-methylideneamino]-1-benzenesulfonamide::CHEMBL370790

SMILES: NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O

InChI Key: InChIKey=LXRFPFHAOYHABY-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 = 50167409   
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))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167409
PNG
(1N-amino(imino)methyl-4-[1-(4-oxo-4H-3-chromenyl)-...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)\N=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C17H14N4O4S/c18-17(19)21-26(23,24)13-7-5-12(6-8-13)20-9-11-10-25-15-4-2-1-3-14(15)16(11)22/h1-10H,(H4,18,19,21)/b20-9+
PDB
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NCI pathway
Reactome pathway
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3096-101 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.055
BindingDB Entry DOI: 10.7270/Q27M07FQ
More data for this
Ligand-Target Pair