null

SMILES COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1

InChI Key InChIKey=XBWQSEBJKSPBBV-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 15 hits for monomerid = 50491223   

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

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3WP0PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3WP0PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3WP0PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 790nMAssay Description:Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3WP0PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-secretase 1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50491223(CHEMBL2380459)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MS3WP0PubMed