BindingDB logo
myBDB logout

BDBM78907 3-bromanyl-N-[(2S)-1-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-4-methyl-benzamide::3-bromo-N-[(2S)-1-[(3S,6R)-6-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-4-methylbenzamide::MLS000697919::N-[(1S)-2-[(3S,6R)-3-benzyl-6-(4-hydroxybenzyl)-2,3,5,6-tetrahydroimidaz[1,2-a]imidazol-7-yl]-1-methyl-ethyl]-3-bromo-4-methyl-benzamide::N-[(2S)-1-[(3S,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]propan-2-yl]-3-bromo-4-methylbenzamide::SMR000386395::cid_16745339

SMILES: C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1

InChI Key: InChIKey=FYUVNCKPPAQUEO-OUIFVKKZSA-N

Data: 1 IC50

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 1 hit for monomerid = 78907   
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))
BDBM78907
PNG
(3-bromanyl-N-[(2S)-1-[(3S,6R)-6-[(4-hydroxyphenyl)...)
Show SMILES C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1
Show InChI InChI=1S/C30H33BrN4O2/c1-20-8-11-24(16-28(20)31)29(37)33-21(2)18-34-26(15-23-9-12-27(36)13-10-23)19-35-25(17-32-30(34)35)14-22-6-4-3-5-7-22/h3-13,16,21,25-26,36H,14-15,17-19H2,1-2H3,(H,33,37)/t21-,25-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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/Q2X34VX0
More data for this
Ligand-Target Pair