BDBM50088485 CHEMBL1835949
SMILES: CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
InChI Key: InChIKey=VHVPQPYKVGDNFY-ARROIKNCSA-N
Data: 1 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 |
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Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50088485 (CHEMBL1835949) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | Drug Metab Dispos 40: 426-35 (2012) Article DOI: 10.1124/dmd.111.042739 BindingDB Entry DOI: 10.7270/Q2B859TV | |||||||||||
More data for this Ligand-Target Pair |