Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM184149'   

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))	BDBM184149 (US9150566, 187) Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1 Show InChI InChI=1S/C23H21ClFN7O2/c1-15-13-30(23(33)20-4-2-17(24)12-22(20)32-28-8-9-29-32)19(14-34-15)11-16-10-18(3-5-21(16)25)31-26-6-7-27-31/h2-10,12,15,19H,11,13-14H2,1H3/t15-,19-/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	1.40E+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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