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SMILES: [O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1

InChI Key: InChIKey=PQAOFJCRCDDOKZ-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 = 91745   
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
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91745
PNG
(CS148)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
Show InChI InChI=1S/C19H14N4O5/c24-18-14-7-1-2-8-15(14)19(25)22(18)10-4-9-16-20-17(21-28-16)12-5-3-6-13(11-12)23(26)27/h1-3,5-8,11H,4,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91745
PNG
(CS148)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
Show InChI InChI=1S/C19H14N4O5/c24-18-14-7-1-2-8-15(14)19(25)22(18)10-4-9-16-20-17(21-28-16)12-5-3-6-13(11-12)23(26)27/h1-3,5-8,11H,4,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair