Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM412680'   

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))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.01	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 JAK3 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 in human SZ4 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation...				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