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BDBM43688 (E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile::(E)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile::(E)-2-(1H-benzimidazol-2-yl)-3-(5-morpholino-2-furyl)acrylonitrile::(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-morpholinyl)-2-furanyl]-2-propenenitrile::MLS000552736::SMR000146251::cid_5914490

SMILES: N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=NLTIXGLRVWLYBW-ACCUITESSA-N

Data: 5 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 5 hits for monomerid = 43688   
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
STAT3


(Homo sapiens (Human))
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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PCBioAssay
n/an/an/an/a>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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n/an/an/an/a 4.32E+3n/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 500n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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n/an/an/an/a>25.5n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>688n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair