BindingDB logo
myBDB logout

BDBM50134794 CHEMBL3746637

SMILES: CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ONXOLONSBJTOEF-DQEYMECFSA-N

Data: 3 IC50

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 3 hits for monomerid = 50134794   
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))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE2 (unknown origin)


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair