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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50330015   
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))		BDBM50330015
PNG
(((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyc...)
Show SMILES CC1(CC1)[C@@H]1COC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H38ClN3O5S/c1-26(11-12-26)24-19-34-17-22(30(24)36(32,33)23-7-5-20(27)6-8-23)18-35-25(31)29-15-9-21(10-16-29)28-13-3-2-4-14-28/h5-8,21-22,24H,2-4,9-19H2,1H3/t22-,24+/m1/s1
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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Research Lab.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins

Bioorg Med Chem Lett 20: 6606-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.028
BindingDB Entry DOI: 10.7270/Q2RF5V79
More data for this
Ligand-Target Pair