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BDBM50129290 CHEMBL3627973

SMILES: CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1

InChI Key: InChIKey=IZAZMKRRWGQPGM-FFXKXJTCNA-N

Data: 2 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 2 hits for monomerid = 50129290   
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))
BDBM50129290
PNG
(CHEMBL3627973)
Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
Show InChI InChI=1/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
78n/an/an/an/an/an/a5.0n/a



Bristol-Myers Squibb Co.

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))
BDBM50129290
PNG
(CHEMBL3627973)
Show SMILES CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
Show InChI InChI=1/C22H25Cl2N5O3/c1-13(30)27-20-17(23)8-14(9-18(20)24)11-26-22(25)28-21(31)19-10-16(32-2)12-29(19)15-6-4-3-5-7-15/h3-9,16,19H,10-12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t16-,19+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
390n/an/an/an/an/an/a6.4n/a



Bristol-Myers Squibb Co.

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