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SMILES: COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(OC)cc4)CC2)C3)c1

InChI Key: InChIKey=KLUCUOQHRAOQQT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301673   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50301673
PNG
(3-[2-(4-{3-[4-(3-Methoxy-benzyl)-3,6-dihydro-2H-pi...)
Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(OC)cc4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20|
Show InChI InChI=1S/C39H45N3O6/c1-46-33-10-6-27(7-11-33)24-41-14-16-42(17-15-41)37(45)39-22-28-18-29(23-39)21-38(20-28,26-39)31-8-12-34(13-9-31)48-25-35(43)40-32-5-3-4-30(19-32)36(44)47-2/h3-13,19,28-29H,14-18,20-26H2,1-2H3,(H,40,43)
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n/an/a 890n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4

Bioorg Med Chem Lett 19: 5376-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.127
BindingDB Entry DOI: 10.7270/Q200025P
More data for this
Ligand-Target Pair