new BindingDB logo
myBDB logout

BDBM95389 2-(7-Morpholin-4-yl-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-phenol::6-[(7-morpholin-4-yl-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]cyclohexa-2,4-dien-1-one::6-[(7-morpholino-4-nitro-1,3-dihydrobenzofurazan-5-yl)imino]cyclohexa-2,4-dien-1-one::6-[[7-(4-morpholinyl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]-1-cyclohexa-2,4-dienone::MLS000332132::SMR000221550::cid_6054788

SMILES: [O-]c1ccccc1Nc1cc(N2CCOCC2)c2[nH+]onc2c1[N+]([O-])=O

InChI Key: InChIKey=NDPMCDKMIPITBX-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 95389   
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)
BDBM95389
PNG
(2-(7-Morpholin-4-yl-4-nitro-benzo[1,2,5]oxadiazol-...)
Show SMILES [O-]c1ccccc1Nc1cc(N2CCOCC2)c2[nH+]onc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H15N5O5/c22-13-4-2-1-3-10(13)17-11-9-12(20-5-7-25-8-6-20)14-15(19-26-18-14)16(11)21(23)24/h1-4,9,17,22H,5-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.77E+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/Q2639NCQ
More data for this
Ligand-Target Pair