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BDBM394645 3-[(2-{[1-(pyridin-3-yl)cyclopropyl]amino}pyrimidin-5-yl)carbonyl]benzonitrile::US10308615, Example 2

SMILES: O=C(c1cnc(NC2(CC2)c2cccnc2)nc1)c1cccc(c1)C#N

InChI Key: InChIKey=WLHYMEAMROQEIV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 394645   
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))		BDBM394645
PNG
(3-[(2-{[1-(pyridin-3-yl)cyclopropyl]amino}pyrimidi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cccnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H15N5O/c21-10-14-3-1-4-15(9-14)18(26)16-11-23-19(24-12-16)25-20(6-7-20)17-5-2-8-22-13-17/h1-5,8-9,11-13H,6-7H2,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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