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BDBM79102 MLS001124207::N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-3-piperidinecarboxamide::N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide::N-[3-(2,6-dimethylpiperidino)propyl]-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)nipecotamide::SMR000629096::cid_20912317

SMILES: CC1CCCC(C)N1CCCNC(=O)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12

InChI Key: InChIKey=BBZGGKSPVNRSOC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79102   
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))
BDBM79102
PNG
(MLS001124207 | N-[3-(2,6-dimethyl-1-piperidinyl)pr...)
Show SMILES CC1CCCC(C)N1CCCNC(=O)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12
Show InChI InChI=1S/C26H41N7O/c1-19-9-6-10-20(2)32(19)16-8-13-27-26(34)21-11-7-14-31(17-21)24-23-25(29-18-28-24)33-15-5-3-4-12-22(33)30-23/h18-21H,3-17H2,1-2H3,(H,27,34)
PDB
MMDB

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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