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BDBM87409 6-[5-(1-benzimidazolylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester::6-[5-(benzimidazol-1-ylmethyl)-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester::MLS000050815::SMR000078442::cid_2217915::ethyl 6-[5-(1H-benzimidazol-1-ylmethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate::ethyl 6-[5-(benzimidazol-1-ylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate::ethyl 6-[5-(benzimidazol-1-ylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate

SMILES: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1cnc2ccccc12

InChI Key: InChIKey=SVTGPCLBAHSNER-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 = 87409   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87409
PNG
(6-[5-(1-benzimidazolylmethyl)-2-oxo-1,3-dihydroimi...)
Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1cnc2ccccc12
Show InChI InChI=1S/C19H20N4O4/c1-2-27-17(25)10-6-5-9-16(24)18-14(21-19(26)22-18)11-23-12-20-13-7-3-4-8-15(13)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 1.86E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair