Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM50539842'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539842 (CHEMBL4636507) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| Show InChI InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
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