Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50267804'   

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 JAK1 (Homo sapiens (Human))	BDBM50267804 (CHEMBL4070136) Show SMILES CC(C)Oc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C24H32N6O2/c1-14(2)32-20-7-6-15(11-27-20)16-10-18-21(17(22(25)31)12-28-30(18)13-16)29-19-8-9-24(5,26)23(19,3)4/h6-7,10-14,19,29H,8-9,26H2,1-5H3,(H2,25,31)/t19-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/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
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