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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50333723   
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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50333723
PNG
(CHEMBL1643738 | N-tert-butyl-5-(1-(tert-butylamino...)
Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H42N4O3/c1-24(2,3)28-21(32)16-31-19-13-12-18(27(10,11)23(34)30-26(7,8)9)14-17(19)15-20(31)22(33)29-25(4,5)6/h12-15H,16H2,1-11H3,(H,28,32)(H,29,33)(H,30,34)
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n/an/an/an/a 6.64E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at PXR by induction assay

Bioorg Med Chem Lett 21: 869-73 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.067
BindingDB Entry DOI: 10.7270/Q2B27VJK
More data for this
Ligand-Target Pair