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SMILES: CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(C)(C)C)c1cccs1

InChI Key: InChIKey=USUYYJVVBRVSEY-XTCWOQMQSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313439   
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
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50313439
PNG
(1-((2R,4aS,5R,10bS)-9-tert-butyl-5-(thiophen-2-yl)...)
Show SMILES CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(C)(C)C)c1cccs1 |r|
Show InChI InChI=1S/C22H30N2OS/c1-22(2,3)14-7-10-18-17(12-14)21-16(9-8-15(25-21)13-23-4)20(24-18)19-6-5-11-26-19/h5-7,10-12,15-16,20-21,23-24H,8-9,13H2,1-4H3/t15-,16+,20-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of human recombinant EG5 assessed as ATP hydrolysis by pyruvate kinase-lactate dehydrogenase coupled assay

Bioorg Med Chem Lett 20: 1491-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.110
BindingDB Entry DOI: 10.7270/Q2KD1ZWN
More data for this
Ligand-Target Pair