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BDBM62349 MLS-0281326.0001::N-[1-(4-chlorobenzyl)benzimidazol-2-yl]propionamide::N-[1-[(4-chlorophenyl)methyl]-2-benzimidazolyl]propanamide::N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide::cid_780945

SMILES: CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=TWDDFGUXTRUDSK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 62349   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-8


(Homo sapiens (Human))
BDBM62349
PNG
(MLS-0281326.0001 | N-[1-(4-chlorobenzyl)benzimidaz...)
Show SMILES CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
PDB
MMDB

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PC sid
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PCBioAssay
n/an/a 1.32E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q28C9TP6
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62349
PNG
(MLS-0281326.0001 | N-[1-(4-chlorobenzyl)benzimidaz...)
Show SMILES CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
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n/an/a>2.00E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62349
PNG
(MLS-0281326.0001 | N-[1-(4-chlorobenzyl)benzimidaz...)
Show SMILES CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
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n/an/a 1.58E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62349
PNG
(MLS-0281326.0001 | N-[1-(4-chlorobenzyl)benzimidaz...)
Show SMILES CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
PDB
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PCBioAssay
n/an/a 1.23E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair