BDBM258443 US9512130, 1
SMILES: COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F
InChI Key: InChIKey=BNMXHMAJSLYHSR-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM258443 (US9512130, 1) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
BAYER PHARMA AKTIENGESELLSCHAFT US Patent | Assay Description The potential of the test compound to act as a competitive inhibitor of CYP3A4 was evaluated in in vitro assays, using human liver microsomes and the... | US Patent US9512130 (2016) BindingDB Entry DOI: 10.7270/Q2833QZH | |||||||||||
More data for this Ligand-Target Pair |