BDBM50103543 CHEMBL3358006
SMILES: C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F
InChI Key: InChIKey=HXNOCBIFNWVJLT-CYBMUJFWSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of EGFR (unknown origin) | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of NaV1.5 (unknown origin) | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (Type L) (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CaV1.2 (unknown origin) | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel beta subunit Mink (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of IKs channel (unknown origin) | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human ERG by patch clamp based electrophysiology method | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose-dependent insulinotropic receptor (Mus musculus) | BDBM50103543 (CHEMBL3358006) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) by high throughput fluorescence assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2C19 (unknown origin) by high throughput fluorescence assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) by high throughput fluorescence assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) by high throughput fluorescence assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 119 (GPR119) (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50103543 (CHEMBL3358006) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP1A2 (unknown origin) by high throughput fluorescence assay | J Med Chem 57: 8984-98 (2014) BindingDB Entry DOI: 10.7270/Q29G5PK1 | |||||||||||
More data for this Ligand-Target Pair |