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BDBM50392843 CHEMBL1233206

SMILES: COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1

InChI Key: InChIKey=LQOCXPOKEPYGTJ-TWYLJJHKNA-N

Data: 1 KI  1 IC50

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

Found 2 hits for monomerid = 50392843   
Target
(Institution)
LigandTarget
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-secretase (BACE)


(Homo sapiens (Human))
BDBM50392843
PNG
(CHEMBL1233206)
Show SMILES COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50392843
PNG
(CHEMBL1233206)
Show SMILES COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair