BDBM21149 4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]pyridine::Pyridine-based ligand, 1
SMILES: Brc1ccc(cc1)-n1c(SCc2ccccc2)nnc1-c1ccncc1
InChI Key: InChIKey=IWCKJSOBOIUYSP-UHFFFAOYSA-N
Data: 2 IC50
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 2C9 (Homo sapiens (Human)) | BDBM21149 (4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca | Assay Description The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor... | J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM21149 (4-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
AstraZeneca | Assay Description The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef... | J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ | |||||||||||
More data for this Ligand-Target Pair |