Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM184030'   

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))	BDBM184030 (US9150566, 68) Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H23N7O2/c1-17-15-32-16-20(14-18-5-4-6-19(13-18)29-24-9-10-25-29)28(17)23(31)21-7-2-3-8-22(21)30-26-11-12-27-30/h2-13,17,20H,14-16H2,1H3/t17-,20-/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	2.40E+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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