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SMILES: COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1

InChI Key: InChIKey=NSOLINYWDYMPAC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 66705   
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))
BDBM66705
PNG
(MLS001183402 | N-[[5-[[[2-(2,4-dimethoxyanilino)-1...)
Show SMILES COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1
Show InChI InChI=1S/C26H27N5O7/c1-15-5-6-17(11-16(15)2)29-24(33)23(32)27-13-19-7-8-20(38-19)14-28-31-26(35)25(34)30-21-10-9-18(36-3)12-22(21)37-4/h5-12,14H,13H2,1-4H3,(H,27,32)(H,29,33)(H,30,34)(H,31,35)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.43E+4n/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
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM66705
PNG
(MLS001183402 | N-[[5-[[[2-(2,4-dimethoxyanilino)-1...)
Show SMILES COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1
Show InChI InChI=1S/C26H27N5O7/c1-15-5-6-17(11-16(15)2)29-24(33)23(32)27-13-19-7-8-20(38-19)14-28-31-26(35)25(34)30-21-10-9-18(36-3)12-22(21)37-4/h5-12,14H,13H2,1-4H3,(H,27,32)(H,29,33)(H,30,34)(H,31,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.04E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair