BDBM50113979 CHEMBL3605558
SMILES: CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N
InChI Key: InChIKey=BBYGAEPKKAXIBP-GFCCVEGCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl... | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A5 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50113979 (CHEMBL3605558) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method | J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J | |||||||||||
More data for this Ligand-Target Pair |