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SMILES: Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1

InChI Key: InChIKey=XYTXFNCNPOAWMP-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 3 hits for monomerid = 78782   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78782
PNG
(4-[1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanyliden...)
Show SMILES Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
Show InChI InChI=1S/C31H33FN4O3/c32-25-11-6-10-24(20-25)22-36-28-13-5-4-12-27(28)30(38)35(31(36)39)17-7-14-29(37)33-26-15-18-34(19-16-26)21-23-8-2-1-3-9-23/h1-6,8-13,20,26H,7,14-19,21-22H2,(H,33,37)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.11E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78782
PNG
(4-[1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanyliden...)
Show SMILES Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
Show InChI InChI=1S/C31H33FN4O3/c32-25-11-6-10-24(20-25)22-36-28-13-5-4-12-27(28)30(38)35(31(36)39)17-7-14-29(37)33-26-15-18-34(19-16-26)21-23-8-2-1-3-9-23/h1-6,8-13,20,26H,7,14-19,21-22H2,(H,33,37)
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PCBioAssay
n/an/a 1.31E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78782
PNG
(4-[1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanyliden...)
Show SMILES Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
Show InChI InChI=1S/C31H33FN4O3/c32-25-11-6-10-24(20-25)22-36-28-13-5-4-12-27(28)30(38)35(31(36)39)17-7-14-29(37)33-26-15-18-34(19-16-26)21-23-8-2-1-3-9-23/h1-6,8-13,20,26H,7,14-19,21-22H2,(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair