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BDBM50211835 4-(2-(3-nitrobenzylideneamino)ethyl)benzenesulfonamide::CHEMBL254005

SMILES: NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=LYYSXAMLMLNHBA-GZTJUZNOSA-N

Data: 3 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 3 hits for monomerid = 50211835   
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 IV


(Bos taurus (bovine))
BDBM50211835
PNG
(4-(2-(3-nitrobenzylideneamino)ethyl)benzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c16-23(21,22)15-6-4-12(5-7-15)8-9-17-11-13-2-1-3-14(10-13)18(19)20/h1-7,10-11H,8-9H2,(H2,16,21,22)/b17-11+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211835
PNG
(4-(2-(3-nitrobenzylideneamino)ethyl)benzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c16-23(21,22)15-6-4-12(5-7-15)8-9-17-11-13-2-1-3-14(10-13)18(19)20/h1-7,10-11H,8-9H2,(H2,16,21,22)/b17-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211835
PNG
(4-(2-(3-nitrobenzylideneamino)ethyl)benzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c16-23(21,22)15-6-4-12(5-7-15)8-9-17-11-13-2-1-3-14(10-13)18(19)20/h1-7,10-11H,8-9H2,(H2,16,21,22)/b17-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair