Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50267836'   

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))	BDBM50267836 (CHEMBL4105015) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2Cl)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O/c1-21(2)18(8-9-22(21,3)25)27-19-15(20(24)29)11-26-28-12-13(10-17(19)28)14-6-4-5-7-16(14)23/h4-7,10-12,18,27H,8-9,25H2,1-3H3,(H2,24,29)/t18-,22+/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	0.800	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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