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SMILES: CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccccc1

InChI Key: InChIKey=GICPNNRUWNETCH-UHFFFAOYSA-N

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 = 80880   
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
Phospholipase A2


(Homo sapiens (Human))		BDBM80880
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-phenyl-3H-benzo[e][1,...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccccc1 |c:6,8|
Show InChI InChI=1S/C22H18N4O2/c1-2-15-8-13-20-19(14-15)21(16-9-11-18(12-10-16)26(27)28)24-25-22(23-20)17-6-4-3-5-7-17/h3-14,24H,2H2,1H3
PDB
MMDB

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n/an/a 357n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))		BDBM80880
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-phenyl-3H-benzo[e][1,...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccccc1 |c:6,8|
Show InChI InChI=1S/C22H18N4O2/c1-2-15-8-13-20-19(14-15)21(16-9-11-18(12-10-16)26(27)28)24-25-22(23-20)17-6-4-3-5-7-17/h3-14,24H,2H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 399n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair