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SMILES: C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCOC1

InChI Key: InChIKey=VSKQOMHTMYZRLK-NXEZZACHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50434802   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50434802
PNG
(CHEMBL2386652)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCOC1 |r|
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10-/m1/s1
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 68n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP

J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair