Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase P/Tyrosine-protein kinase JAK1' and Ligand = 'BDBM257391'   

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
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257391 (BDBM257486 | US9493441, 1-2) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(CC#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 Show InChI InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)28-13-10-16(11-14-28)19(9-12-24)29-15-18(20(25)30)21(27-29)26-17-7-5-4-6-8-17/h4-8,15-16,19H,9-11,13-14H2,1-3H3,(H2,25,30)(H,26,27)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257391 (BDBM257486 | US9493441, 1-2) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(CC#N)n1cc(C(N)=O)c(Nc2ccccc2)n1 Show InChI InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)28-13-10-16(11-14-28)19(9-12-24)29-15-18(20(25)30)21(27-29)26-17-7-5-4-6-8-17/h4-8,15-16,19H,9-11,13-14H2,1-3H3,(H2,25,30)(H,26,27)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair