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BDBM77497 MLS000522781::N-[2-[1-(4-methylbenzyl)benzimidazol-2-yl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]ethanamide::SMR000128047::cid_3160764

SMILES: CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1

InChI Key: InChIKey=HGPBOHLXNHQUCN-UHFFFAOYSA-N

Data: 2 EC50

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 = 77497   
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
Caspase-3


(Homo sapiens (Human))
BDBM77497
PNG
(MLS000522781 | N-[2-[1-(4-methylbenzyl)benzimidazo...)
Show SMILES CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-14-7-9-16(10-8-14)13-22-18-6-4-3-5-17(18)21-19(22)11-12-20-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>8.52E+4n/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) Affiliation: The Scripps Research Institute, TSR...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z31X4P
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))
BDBM77497
PNG
(MLS000522781 | N-[2-[1-(4-methylbenzyl)benzimidazo...)
Show SMILES CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-14-7-9-16(10-8-14)13-22-18-6-4-3-5-17(18)21-19(22)11-12-20-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>8.52E+4n/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) Affiliation: The Scripps Research Institute, TSR...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22V2DK6
More data for this
Ligand-Target Pair