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BDBM50231687 3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylheptan-2-ylamino)-1-phenylbutan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide::CHEMBL252459

SMILES: CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O

InChI Key: InChIKey=SZYBPAXICZXZGW-WUFINQPMSA-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 = 50231687   
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))
BDBM50231687
PNG
(3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylhep...)
Show SMILES CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
Show InChI InChI=1S/C31H46N4O3/c1-5-7-11-16-31(3,4)33-22-28(36)27(18-23-13-9-8-10-14-23)34-30(38)24-19-25(32-6-2)21-26(20-24)35-17-12-15-29(35)37/h8-10,13-14,19-21,27-28,32-33,36H,5-7,11-12,15-18,22H2,1-4H3,(H,34,38)/t27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1017-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.019
BindingDB Entry DOI: 10.7270/Q2J67GP2
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50231687
PNG
(3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylhep...)
Show SMILES CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
Show InChI InChI=1S/C31H46N4O3/c1-5-7-11-16-31(3,4)33-22-28(36)27(18-23-13-9-8-10-14-23)34-30(38)24-19-25(32-6-2)21-26(20-24)35-17-12-15-29(35)37/h8-10,13-14,19-21,27-28,32-33,36H,5-7,11-12,15-18,22H2,1-4H3,(H,34,38)/t27-,28+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1017-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.019
BindingDB Entry DOI: 10.7270/Q2J67GP2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50231687
PNG
(3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(2-methylhep...)
Show SMILES CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
Show InChI InChI=1S/C31H46N4O3/c1-5-7-11-16-31(3,4)33-22-28(36)27(18-23-13-9-8-10-14-23)34-30(38)24-19-25(32-6-2)21-26(20-24)35-17-12-15-29(35)37/h8-10,13-14,19-21,27-28,32-33,36H,5-7,11-12,15-18,22H2,1-4H3,(H,34,38)/t27-,28+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1017-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.019
BindingDB Entry DOI: 10.7270/Q2J67GP2
More data for this
Ligand-Target Pair