Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50250938'   

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))	BDBM50250938 (CHEMBL4088262) Show SMILES COc1ccnc2c(F)cc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r| Show InChI InChI=1S/C20H19FN6O3/c1-29-17-2-4-24-18-13(17)6-12(7-15(18)21)25-20-14(19(23)28)9-27(26-20)16-10-30-5-3-11(16)8-22/h2,4,6-7,9,11,16H,3,5,10H2,1H3,(H2,23,28)(H,25,26)/t11-,16+/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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250938 (CHEMBL4088262) Show SMILES COc1ccnc2c(F)cc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r| Show InChI InChI=1S/C20H19FN6O3/c1-29-17-2-4-24-18-13(17)6-12(7-15(18)21)25-20-14(19(23)28)9-27(26-20)16-10-30-5-3-11(16)8-22/h2,4,6-7,9,11,16H,3,5,10H2,1H3,(H2,23,28)(H,25,26)/t11-,16+/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 in IL6-stimulated human ME180 cells expressing stably integrated beta-lactamase reporter gene under control of sis-inducible eleme...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair