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SMILES: Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1

InChI Key: InChIKey=IUXJEXGEWOOMJH-DEDYPNTBSA-N

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 = 66418   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66418
PNG
((E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-fura...)
Show SMILES Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
Show InChI InChI=1S/C27H24N4O3/c1-18-10-19(2)12-22(11-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-24(21)25)17-26(32)29-15-23-6-5-9-34-23/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
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KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a 4.65E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM66418
PNG
((E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-fura...)
Show SMILES Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
Show InChI InChI=1S/C27H24N4O3/c1-18-10-19(2)12-22(11-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-24(21)25)17-26(32)29-15-23-6-5-9-34-23/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
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PCBioAssay
n/an/a 1.17E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM66418
PNG
((E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-fura...)
Show SMILES Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
Show InChI InChI=1S/C27H24N4O3/c1-18-10-19(2)12-22(11-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-24(21)25)17-26(32)29-15-23-6-5-9-34-23/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
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antibodypedia
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PCBioAssay
n/an/a 4.97E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM66418
PNG
((E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-[2-(2-fura...)
Show SMILES Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
Show InChI InChI=1S/C27H24N4O3/c1-18-10-19(2)12-22(11-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-24(21)25)17-26(32)29-15-23-6-5-9-34-23/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.17E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair