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BDBM50177821 CHEMBL3814660

SMILES: Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1

InChI Key: InChIKey=GQBSUMWYRNKURM-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50177821   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50177821
PNG
(CHEMBL3814660)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-14-12-3-1-2-4-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50177821
PNG
(CHEMBL3814660)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-14-12-3-1-2-4-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair