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BDBM78830 2-[3-(2-cumidino-2-keto-ethyl)imidazol-3-ium-1-yl]-3-keto-inden-1-olate::3-oxidanylidene-2-[3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]imidazol-3-ium-1-yl]inden-1-olate::3-oxo-2-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1-imidazol-3-iumyl]-1-indenolate::3-oxo-2-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]imidazol-3-ium-1-yl]inden-1-olate::MLS001033402::SMR000363896::cid_4212523

SMILES: CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=AVDXHJHJYJYJAQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 78830   
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))
BDBM78830
PNG
(2-[3-(2-cumidino-2-keto-ethyl)imidazol-3-ium-1-yl]...)
Show SMILES CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H21N3O3/c1-15(2)16-7-9-17(10-8-16)24-20(27)13-25-11-12-26(14-25)21-22(28)18-5-3-4-6-19(18)23(21)29/h3-12,14-15H,13H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+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/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78830
PNG
(2-[3-(2-cumidino-2-keto-ethyl)imidazol-3-ium-1-yl]...)
Show SMILES CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H21N3O3/c1-15(2)16-7-9-17(10-8-16)24-20(27)13-25-11-12-26(14-25)21-22(28)18-5-3-4-6-19(18)23(21)29/h3-12,14-15H,13H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.78E+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/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM78830
PNG
(2-[3-(2-cumidino-2-keto-ethyl)imidazol-3-ium-1-yl]...)
Show SMILES CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H21N3O3/c1-15(2)16-7-9-17(10-8-16)24-20(27)13-25-11-12-26(14-25)21-22(28)18-5-3-4-6-19(18)23(21)29/h3-12,14-15H,13H2,1-2H3,(H,24,27)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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