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BDBM78704 (2S)-2-[4-[(1S)-1-amino-2-methyl-butyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazino-propan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-amino-2-methylbutyl]-1-triazolyl]-3-(1H-indol-2-yl)-1-(1-piperazinyl)-1-propanone;hydrochloride::(2S)-2-[4-[(1S)-1-amino-2-methylbutyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-yl-propan-1-one;hydrochloride::CD-MONO-IW-DP::MLS000560549::SMR000327454::cid_16129559

SMILES: CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

InChI Key: InChIKey=WKRPVPDBZBMSGA-LBTAZEDMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 78704   
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))
BDBM78704
PNG
((2S)-2-[4-[(1S)-1-amino-2-methyl-butyl]triazol-1-y...)
Show SMILES CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H31N7O/c1-3-15(2)21(23)19-14-29(27-26-19)20(22(30)28-10-8-24-9-11-28)13-17-12-16-6-4-5-7-18(16)25-17/h4-7,12,14-15,20-21,24-25H,3,8-11,13,23H2,1-2H3/t15?,20-,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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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