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BDBM96352 2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one::2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-4-quinazolinone::2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one::3-[[(E)-(6-keto-5-methyl-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-quinazolin-4-one::3-{[1-(2-Hydroxy-3-methyl-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-2-methyl-3H-quinazolin-4-one::MLS000778735::SMR000415515::cid_5422717

SMILES: Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O

InChI Key: InChIKey=RGWAPHHJTGNUNB-GIJQJNRQSA-O

Data: 2 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 2 hits for monomerid = 96352   
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
serum albumin precursor


(Bos taurus)
BDBM96352
PNG
(2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxidanylidene...)
Show SMILES Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N4O4/c1-10-7-13(21(24)25)8-12(16(10)22)9-18-20-11(2)19-15-6-4-3-5-14(15)17(20)23/h3-9H,1-2H3/q-1/p+1/b18-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM96352
PNG
(2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxidanylidene...)
Show SMILES Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N4O4/c1-10-7-13(21(24)25)8-12(16(10)22)9-18-20-11(2)19-15-6-4-3-5-14(15)17(20)23/h3-9H,1-2H3/q-1/p+1/b18-9+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair