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BDBM78521 2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperidin-1-yl]-N-(2-methoxy-phenyl)-acetamide::2-[4-(5-fluoranyl-2-methyl-benzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)ethanamide::2-[4-(5-fluoro-2-methyl-1-benzimidazolyl)-1-piperidinyl]-N-(2-methoxyphenyl)acetamide::2-[4-(5-fluoro-2-methyl-benzimidazol-1-yl)piperidino]-N-(2-methoxyphenyl)acetamide::2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide::MLS000074439::SMR000006465::cid_649329

SMILES: COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12

InChI Key: InChIKey=MNAIGPDCLNXHFZ-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 78521   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78521
PNG
(2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperi...)
Show SMILES COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.53E+3n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM78521
PNG
(2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperi...)
Show SMILES COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.96E+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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78521
PNG
(2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperi...)
Show SMILES COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.78E+3n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78521
PNG
(2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperi...)
Show SMILES COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair