new BindingDB logo
myBDB logout

BDBM93495 (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate::(4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate::3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester::3-methyl-5-nitro-imidazole-4-sulfonic acid (4-chlorophenyl) ester::MLS002608073::SMR001526824::cid_236063

SMILES: Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O

InChI Key: InChIKey=VCBIEXLZPZYLOK-UHFFFAOYSA-N

Data: 3 IC50

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 = 93495   
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
MSRA protein


(Bos taurus)
BDBM93495
PNG
((4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulf...)
Show SMILES Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.28E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM93495
PNG
((4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulf...)
Show SMILES Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM93495
PNG
((4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulf...)
Show SMILES Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair