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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50129285   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50129285
PNG
(CHEMBL3627966)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r|
Show InChI InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
150n/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)


Article DOI: 10.1016/j.bmcl.2015.10.031
BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50129285
PNG
(CHEMBL3627966)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r|
Show InChI InChI=1S/C21H22Cl3N5O2/c1-12(30)27-19-16(23)9-13(10-17(19)24)11-26-21(25)28-20(31)18-3-2-8-29(18)15-6-4-14(22)5-7-15/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,27,30)(H3,25,26,28,31)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
370n/an/an/an/an/an/a6.4n/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 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...


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


Article DOI: 10.1016/j.bmcl.2015.10.031
BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair