BDBM119128 GS7
SMILES: CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(C)C)NC(=O)OCc1cncs1
InChI Key: InChIKey=SMWGYCRIYRMWHW-HFASVGIHSA-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 3A4 (Homo sapiens (Human)) | BDBM119128 (GS7) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 40 | n/a | n/a | n/a | 7.4 | n/a |
University of California at Irvine | Assay Description Ligand binidng to CYP3A4 was monitored in 50 mM phosphate (pH 7.4) containing 20% glycerol and 1 mM DTT. The protein was titrated with small aliquots... | Biochemistry 52: 4474-81 (2013) Article DOI: 10.1021/bi4005396 BindingDB Entry DOI: 10.7270/Q2PZ57GJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM119128 (GS7) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at Irvine | Assay Description The inhibitory potency of compounds GS4-GS8 on the 7-benzyloxy-4-(trifluoromethyl)coumarin hydroxylase activity of CYP3A4 was evaluated according to ... | Biochemistry 52: 4474-81 (2013) Article DOI: 10.1021/bi4005396 BindingDB Entry DOI: 10.7270/Q2PZ57GJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |