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BDBM50377849 CHEMBL260634

SMILES: CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1

InChI Key: InChIKey=MDQXGGYWQXEUEB-HZFUHODCSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50377849   
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))
BDBM50377849
PNG
(CHEMBL260634)
Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1
Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
272n/an/an/an/an/an/an/an/a



LG Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human BACE1


Bioorg Med Chem Lett 18: 2900-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.081
BindingDB Entry DOI: 10.7270/Q2RV0PKZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50377849
PNG
(CHEMBL260634)
Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1
Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
354n/an/an/an/an/an/an/an/a



LG Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 2900-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.081
BindingDB Entry DOI: 10.7270/Q2RV0PKZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50377849
PNG
(CHEMBL260634)
Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1
Show InChI InChI=1S/C30H35F2N5O3/c1-36(2)23-10-6-9-21(13-23)16-33-17-28(38)26(15-20-7-4-3-5-8-20)34-29(39)27-19-37(30(40)35-27)18-22-11-12-24(31)25(32)14-22/h3-14,26-28,33,38H,15-19H2,1-2H3,(H,34,39)(H,35,40)/t26-,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.74E+3n/an/an/an/an/an/a



LG Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by SEAP reporter gene assay


Bioorg Med Chem Lett 18: 2900-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.081
BindingDB Entry DOI: 10.7270/Q2RV0PKZ
More data for this
Ligand-Target Pair