BDBM50012632 CHEMBL2333941

SMILES C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1

InChI Key InChIKey=MJQMRGWYPNIERM-HNNXBMFYSA-N

Data  20 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50012632   

TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  240nMAssay Description:Inhibition of recombinant human BACE1 by 7-methoxycoumarin-4-yl-acetyl-based FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  260nMAssay Description:Inhibition of BACE1 (unknown origin) using beta-secretase as substrate incubated in dark for 1 hr by fluorescence based analysisMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  240nMAssay Description:Inhibition of IgG1 Fc-fused human recombinant BACE1 (1 to 460 residues) expressed in HEK293 cells using methylcoumarin peptide harboring Swedish muta...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  270nMAssay Description:Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  270nMAssay Description:Inhibition of human recombinant BACE1 using MBP-C125Swe as substrateMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  300nMAssay Description:Inhibition of BACE-1 in HEK293 cells expressing human APP751 cDNA harboring N670L671 mutation pretreated for 2 hrs followed by measuring after 2 hrs ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  240nMAssay Description:Inhibition of human BACE-1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  173nMAssay Description:Inhibition of BACE 1 (unknown origin) using 250 nM of Rh-EVNLDAEFK-Quencher as substrate after 1 hr by FRET assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  1.57E+4nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  620nMAssay Description:Inhibition of human BACE1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate measured after 2 hrs by FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  2.88E+3nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  239nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  269nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  270nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  239nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  288nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  1.57E+4nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  239nMAssay Description:Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human Cathepsin D by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Mus musculus (Mouse))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataIC50:  126nMAssay Description:Inhibition of BACE1 in mouse primary cortical neuron assessed as reduction in Amyloid-beta level incubated for 24 hrs by sandwich ELISA assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Janssen Pharmaceutica

Curated by ChEMBL
LigandPNGBDBM50012632(CHEMBL2333941)
Affinity DataEC50:  300nMAssay Description:Inhibition of BACE1 in HEK293 cells expressing APPswedish mutant assessed as inhibition of amyloid beta production by ELISAMore data for this Ligand-Target Pair