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BDBM35507 4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine::4-[1-[(3-methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine::4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine::MLS000043676::SMR000020688::[4-(1-m-anisylbenzimidazol-2-yl)furazan-3-yl]amine::cid_1506381

SMILES: COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1

InChI Key: InChIKey=ZTQIQQGRCNJUPF-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 = 35507   
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
Cathepsin B


(Homo sapiens (Human))
BDBM35507
PNG
(4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5...)
Show SMILES COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-4-5-11(9-12)10-22-14-8-3-2-7-13(14)19-17(22)15-16(18)21-24-20-15/h2-9H,10H2,1H3,(H2,18,21)
PDB
MMDB

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PC sid
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PCBioAssay
n/an/a 4.60E+4n/an/an/an/a6.823



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25T3HTJ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM35507
PNG
(4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5...)
Show SMILES COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-4-5-11(9-12)10-22-14-8-3-2-7-13(14)19-17(22)15-16(18)21-24-20-15/h2-9H,10H2,1H3,(H2,18,21)
PDB
MMDB

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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM35507
PNG
(4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5...)
Show SMILES COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-4-5-11(9-12)10-22-14-8-3-2-7-13(14)19-17(22)15-16(18)21-24-20-15/h2-9H,10H2,1H3,(H2,18,21)
PDB
MMDB

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PCBioAssay
n/an/a 3.12E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27D2SJC
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM35507
PNG
(4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5...)
Show SMILES COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-4-5-11(9-12)10-22-14-8-3-2-7-13(14)19-17(22)15-16(18)21-24-20-15/h2-9H,10H2,1H3,(H2,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.60E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C53J7N
More data for this
Ligand-Target Pair