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BDBM50235653 CHEMBL4087904

SMILES: CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccccc12

InChI Key: InChIKey=FSHDMQGGZOOJFU-NHTMILBNSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235653   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235653
PNG
(CHEMBL4087904)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C24H29N3/c1-25(2)24-16-27(23-13-12-17-8-4-5-9-18(17)23)15-21(24)20-14-26(3)22-11-7-6-10-19(20)22/h4-11,14,21,23-24H,12-13,15-16H2,1-3H3/t21-,23+,24+/m1/s1
PDB

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PC sid
UniChem

Patents


Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair