Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM184118'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM184118 (US9150566, 156) Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncccn2)c(c1)-n1nccn1 Show InChI InChI=1S/C25H23FN6O2/c1-17-3-5-21(23(13-17)32-29-9-10-30-32)25(33)31-11-12-34-16-20(31)15-19-14-18(4-6-22(19)26)24-27-7-2-8-28-24/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...				US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
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