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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50267848'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50267848
PNG
(CHEMBL4091582)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r|
Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m1/s1
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PubMed
n/an/a 0.900n/an/an/an/an/an/a



Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay

Bioorg Med Chem Lett 27: 3101-3106 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.043
BindingDB Entry DOI: 10.7270/Q2G73H7V
More data for this
Ligand-Target Pair