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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50129374   
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))		BDBM50129374
PNG
(CHEMBL3628123)
Show SMILES COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 |r|
Show InChI InChI=1S/C24H30Cl2N6O3/c1-31(2)14-21(33)29-22-18(25)11-15(12-19(22)26)13-28-24(27)30-23(34)20-5-4-10-32(20)16-6-8-17(35-3)9-7-16/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3,(H,29,33)(H3,27,28,30,34)/t20-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 140n/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