Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM325602'   

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))	BDBM325602 (1-Isopropyl-3-{5-[1-(tetrahydro-pyran-4-ylmethyl)-...) Show SMILES CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)c2ccccc12 Show InChI InChI=1S/C23H31N5O2/c1-16(2)28-20-6-4-3-5-19(20)21(26-28)23-25-24-22(30-23)18-7-11-27(12-8-18)15-17-9-13-29-14-10-17/h3-6,16-18H,7-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit lung angiotensin I converting enzyme (ACE) using hippuryl-histidyl-leucine as substrate				Citation and Details
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