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BDBM50040501 CHEMBL3361221

SMILES: CCOc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1

InChI Key: InChIKey=MJAIJUWZMLMFNR-AQYVVDRMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040501   
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
Valosin containing protein, p97 subunit


(Homo sapiens (Human))		BDBM50040501
PNG
(CHEMBL3361221)
Show SMILES CCOc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(65.95,-42.15,;65.95,-43.69,;64.61,-44.46,;64.61,-46,;63.29,-46.77,;63.29,-48.31,;64.61,-49.08,;65.95,-48.31,;65.95,-46.77,;64.61,-50.62,;63.29,-51.39,;63.29,-52.93,;61.95,-53.7,;61.95,-55.24,;60.61,-56.01,;60.61,-57.55,;59.28,-58.32,;57.95,-57.55,;57.95,-56.01,;59.28,-55.24,;64.61,-53.7,;65.95,-52.93,;67.29,-53.7,;67.29,-55.24,;68.61,-56.01,;68.61,-57.55,;69.95,-58.32,;71.29,-57.55,;71.29,-56.01,;69.95,-55.24,;72.62,-58.32,;73.95,-57.55,;72.62,-59.86,;65.95,-51.39,)|
Show InChI InChI=1S/C27H33N5O2/c1-2-34-23-14-12-21(13-15-23)24-16-25(29-17-19-6-4-3-5-7-19)32-27(31-24)30-18-20-8-10-22(11-9-20)26(28)33/h3-7,12-16,20,22H,2,8-11,17-18H2,1H3,(H2,28,33)(H2,29,30,31,32)/t20-,22-
PDB

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Article
PubMed
n/an/a 246n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair