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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'JAK3/JAK1' and Ligand = 'BDBM50021657'   
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
JAK3/JAK1


(Homo sapiens (Human))		BDBM50021657
PNG
(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7|
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
PDB

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PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human whole blood assessed as inhibition of IL-15-induced STAT-5 phosphorylation preincubated for 45 mins followed by IL-1...

J Med Chem 57: 5023-38 (2014)


Article DOI: 10.1021/jm401490p
BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
More data for this
Ligand-Target Pair