Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM184002'   

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))	BDBM184002 (US9150566, 39) Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1nccc(C)n1)-n1nccn1 Show InChI InChI=1S/C26H26N6O2/c1-18-6-7-24(32-28-10-11-29-32)23(14-18)26(33)31-12-13-34-17-22(31)16-20-4-3-5-21(15-20)25-27-9-8-19(2)30-25/h3-11,14-15,22H,12-13,16-17H2,1-2H3/t22-/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	1.80E+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
					More data for this Ligand-Target Pair