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BDBM78868 MLS000779371::N,N-Diethyl-N'-(5-morpholin-4-yl-1,2,3,4-tetrahydro-7-thia-6,9,11-triaza-benzo[c]fluoren-8-yl)-ethane-1,2 -diamine::SMR000416085::cid_3831985

SMILES: CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21

InChI Key: InChIKey=BDSHHQZMJSYVRC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 78868   
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))
BDBM78868
PNG
(MLS000779371 | N,N-Diethyl-N'-(5-morpholin-4-y...)
Show SMILES CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
Show InChI InChI=1S/C23H32N6OS/c1-3-28(4-2)10-9-24-21-20-19(25-15-26-21)18-16-7-5-6-8-17(16)22(27-23(18)31-20)29-11-13-30-14-12-29/h15H,3-14H2,1-2H3,(H,24,25,26)
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