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BDBM394650 3-[(2-{[1-(pyridin-3-yl)ethyl]amino}pyrimidin-5-yl)carbonyl]benzonitrile::US10308615, Example 7

SMILES: CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cccnc1

InChI Key: InChIKey=QALUXDRBPVQKBM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 394650   
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
Pantetheinase


(Homo sapiens (Human))		BDBM394650
PNG
(3-[(2-{[1-(pyridin-3-yl)ethyl]amino}pyrimidin-5-yl...)
Show SMILES CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cccnc1
Show InChI InChI=1S/C19H15N5O/c1-13(16-6-3-7-21-10-16)24-19-22-11-17(12-23-19)18(25)15-5-2-4-14(8-15)9-20/h2-8,10-13H,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



GSK



Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...

Bioorg Med Chem Lett 19: 3664-8 (2009)


BindingDB Entry DOI: 10.7270/Q22809Z8
More data for this
Ligand-Target Pair