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BDBM45955 1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone::1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone::1-[3,4-bis(oxidanyl)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone::CHEMBL359176::MLS-0146190.0001::cid_2228665

SMILES: COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1

InChI Key: InChIKey=APROZIDTZCKCHQ-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 45955   
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
Glucagon receptor


(Homo sapiens (Human))
BDBM45955
PNG
(1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimida...)
Show SMILES COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-22-10-3-4-11-12(7-10)18-16(17-11)23-8-15(21)9-2-5-13(19)14(20)6-9/h2-7,19-20H,8H2,1H3,(H,17,18)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human glucagon receptor in BHK cells.


J Med Chem 41: 5150-7 (1999)


Article DOI: 10.1021/jm9810304
BindingDB Entry DOI: 10.7270/Q24F1PV6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM45955
PNG
(1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimida...)
Show SMILES COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-22-10-3-4-11-12(7-10)18-16(17-11)23-8-15(21)9-2-5-13(19)14(20)6-9/h2-7,19-20H,8H2,1H3,(H,17,18)
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KEGG

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PCBioAssay
n/an/a 1.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM45955
PNG
(1-(3,4-dihydroxyphenyl)-2-[(6-methoxy-1H-benzimida...)
Show SMILES COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-22-10-3-4-11-12(7-10)18-16(17-11)23-8-15(21)9-2-5-13(19)14(20)6-9/h2-7,19-20H,8H2,1H3,(H,17,18)
PDB
MMDB

Reactome pathway
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antibodypedia
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CHEMBL
PC cid
PC sid
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PCBioAssay
n/an/a 6.17E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair