new BindingDB logo
myBDB logout

BDBM50129379 CHEMBL3627974

SMILES: CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl

InChI Key: InChIKey=PEVPVBPKLSWPED-YCYISBKGNA-N

Data: 1 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 1 hit for monomerid = 50129379   
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-secretase 1


(Homo sapiens (Human))
BDBM50129379
PNG
(CHEMBL3627974)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl |r|
Show InChI InChI=1/C27H27Cl2N5O2/c1-17(35)32-25-22(28)12-18(13-23(25)29)15-31-27(30)33-26(36)24-14-20(19-8-4-2-5-9-19)16-34(24)21-10-6-3-7-11-21/h2-13,20,24H,14-16H2,1H3,(H,32,35)(H3,30,31,33,36)/t20-,24-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
530n/an/an/an/an/an/a5.0n/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...


Bioorg Med Chem Lett 25: 5040-7 (2015)


BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair