BDBM149773 US8975415, RP108::US8975415, RP53b::US9242973, RP108

SMILES CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1

InChI Key InChIKey=KPXCLUUQECRYFF-UHFFFAOYSA-N

Data  4 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 149773   

TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataKi:  123nM IC50:  157nMAssay Description:Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataKi:  123nM ΔG°:  -9.42kcal/mole IC50:  157nMpH: 4.4 T: 2°CAssay Description:Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataKi:  354nM ΔG°:  -8.79kcal/mole IC50:  383nMpH: 4.4 T: 2°CAssay Description:Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataKi:  354nM IC50:  383nMAssay Description:Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  9.40E+3nMT: 2°CAssay Description:The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  9.40E+3nMAssay Description:Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were perfor...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50: >1.00E+4nMAssay Description:Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were perfor...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  316nMAssay Description:Test Example 2: Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  99nMT: 2°CAssay Description:Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of Aβ production. Human SK-N-BE(2) neuroblas...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  96nMT: 2°CAssay Description:Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of Aβ production. Human SK-N-BE(2) neuroblas...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50: >1.00E+4nMT: 2°CAssay Description:The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Comentis

US Patent
LigandPNGBDBM149773(US8975415, RP108 | US8975415, RP53b | US9242973, R...)
Affinity DataIC50:  316nMAssay Description:Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, Perk...More data for this Ligand-Target Pair
In DepthDetails US Patent