BindingDB logo
myBDB logout

null

SMILES: CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)ccc12

InChI Key: InChIKey=YILLOMUASYNCFY-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 = 64870   
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
Trans-activator protein BZLF1


(Human herpesvirus 4)
BDBM64870
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(9-e...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)ccc12
Show InChI InChI=1S/C26H22N4O4/c1-2-30-22-6-4-3-5-20(22)21-15-19(11-12-23(21)30)29-25(32)16-34-26(33)17-7-9-18(10-8-17)28-24(31)13-14-27/h3-12,15H,2,13,16H2,1H3,(H,28,31)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64870
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(9-e...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)ccc12
Show InChI InChI=1S/C26H22N4O4/c1-2-30-22-6-4-3-5-20(22)21-15-19(11-12-23(21)30)29-25(32)16-34-26(33)17-7-9-18(10-8-17)28-24(31)13-14-27/h3-12,15H,2,13,16H2,1H3,(H,28,31)(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair