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BDBM50104060 CHEMBL3593910

SMILES: COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1

InChI Key: InChIKey=VLZYUARSTDNIGQ-DTZSXFQKSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50104060   
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
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104060
PNG
(CHEMBL3593910)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C27H26N2O2/c1-28(2)22-15-11-20(12-16-22)7-6-9-25-24-8-4-5-10-26(24)29(27(25)30)19-21-13-17-23(31-3)18-14-21/h4-18H,19H2,1-3H3/b7-6+,25-9-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
55n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50104060
PNG
(CHEMBL3593910)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C27H26N2O2/c1-28(2)22-15-11-20(12-16-22)7-6-9-25-24-8-4-5-10-26(24)29(27(25)30)19-21-13-17-23(31-3)18-14-21/h4-18H,19H2,1-3H3/b7-6+,25-9-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
130n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50104060
PNG
(CHEMBL3593910)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C27H26N2O2/c1-28(2)22-15-11-20(12-16-22)7-6-9-25-24-8-4-5-10-26(24)29(27(25)30)19-21-13-17-23(31-3)18-14-21/h4-18H,19H2,1-3H3/b7-6+,25-9-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
240n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair