BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50322897   
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
Cathepsin D


(Homo sapiens (Human))
BDBM50322897
PNG
(3-(benzylsulfonyl)-N-((2S,3R)-4-((S)-1-(cyclohexyl...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C33H41N3O5S/c1-24(32(38)35-28-17-9-4-10-18-28)34-22-31(37)30(20-25-12-5-2-6-13-25)36-33(39)27-16-11-19-29(21-27)42(40,41)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37H,4,9-10,17-18,20,22-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/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 6.60E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D


Bioorg Med Chem Lett 20: 4639-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.111
BindingDB Entry DOI: 10.7270/Q2RB75K7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50322897
PNG
(3-(benzylsulfonyl)-N-((2S,3R)-4-((S)-1-(cyclohexyl...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C33H41N3O5S/c1-24(32(38)35-28-17-9-4-10-18-28)34-22-31(37)30(20-25-12-5-2-6-13-25)36-33(39)27-16-11-19-29(21-27)42(40,41)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37H,4,9-10,17-18,20,22-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 20: 4639-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.111
BindingDB Entry DOI: 10.7270/Q2RB75K7
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50322897
PNG
(3-(benzylsulfonyl)-N-((2S,3R)-4-((S)-1-(cyclohexyl...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C33H41N3O5S/c1-24(32(38)35-28-17-9-4-10-18-28)34-22-31(37)30(20-25-12-5-2-6-13-25)36-33(39)27-16-11-19-29(21-27)42(40,41)23-26-14-7-3-8-15-26/h2-3,5-8,11-16,19,21,24,28,30-31,34,37H,4,9-10,17-18,20,22-23H2,1H3,(H,35,38)(H,36,39)/t24-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 20: 4639-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.111
BindingDB Entry DOI: 10.7270/Q2RB75K7
More data for this
Ligand-Target Pair