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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurogenic locus notch homolog protein 3' and Ligand = 'BDBM50074795'   
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
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair