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BDBM50398892 CHEMBL2178173

SMILES: CCC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1

InChI Key: InChIKey=YWVFIVQUKZRYLO-VOTSOKGWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398892   
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))
BDBM50398892
PNG
(CHEMBL2178173)
Show SMILES CCC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 |w:12.11|
Show InChI InChI=1S/C25H27ClN4O3/c1-4-5-6-7-17-12-18(14-20(26)13-17)15-28-25(27)29-24(31)22-16(2)33-30-23(22)19-8-10-21(32-3)11-9-19/h6-14H,4-5,15H2,1-3H3,(H3,27,28,29,31)/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
850n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells


J Med Chem 55: 9208-23 (2012)


Article DOI: 10.1021/jm300931y
BindingDB Entry DOI: 10.7270/Q20G3M8M
More data for this
Ligand-Target Pair