Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM412672'   

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))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	9.88	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair