BindingDB PrimarySearch

BDBM50393088 CHEMBL2152903

SMILES: CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC

InChI Key: InChIKey=TUGLMYZSOPKJOA-PMERELPUSA-N

Data: 1 KI 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50393088
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-secretase 2 (Homo sapiens (Human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 by secreted AAPbeta release assay				ACS Med Chem Lett 3: 869-870 (2012) Article DOI: 10.1021/ml300317n BindingDB Entry DOI: 10.7270/Q27S7PVV
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-gated potassium channel (Homo sapiens (human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by IonWorks assay				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (BACE1) (Mus musculus (Mouse))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated amyloid beta 40 release in C57/BL6 mouse primary cortical neurons after overnight incubation by ELISA				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 by diluted TR-FRET assay				ACS Med Chem Lett 3: 869-870 (2012) Article DOI: 10.1021/ml300317n BindingDB Entry DOI: 10.7270/Q27S7PVV
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393088 (CHEMBL2152903) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassay				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)