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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50129373   
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))
BDBM50129373
PNG
(CHEMBL3627956)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl
Show InChI InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
490n/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))
BDBM50129373
PNG
(CHEMBL3627956)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl
Show InChI InChI=1S/C20H18Cl2N6O2/c1-12(29)26-18-15(21)9-13(10-16(18)22)11-24-20(23)27-19(30)17-7-8-25-28(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,29)(H3,23,24,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.20E+4n/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