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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50065241'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065241
PNG
(CHEMBL2207044)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCOC)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C39H67NO7/c1-10-44-33(35(5,6)42)25-21-24(2)30-31(46-25)32(41)37(8)27-12-11-26-34(3,4)28(47-29-22-40(17-19-43-9)18-20-45-29)13-14-38(26)23-39(27,38)16-15-36(30,37)7/h24-33,41-42H,10-23H2,1-9H3/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair