BDBM50176904 CHEMBL3814479
SMILES: CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1)Cc1ccccc1
InChI Key: InChIKey=MVQZDJDMEHCEJW-FQEVSTJZSA-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)) | BDBM50176904 (CHEMBL3814479) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a |
University of California-Irvine Curated by ChEMBL | Assay Description Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio... | J Med Chem 59: 4210-20 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RKB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50176904 (CHEMBL3814479) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-Irvine Curated by ChEMBL | Assay Description Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome... | J Med Chem 59: 4210-20 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RKB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |