Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50539816'   

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))	BDBM50539816 (CHEMBL4645613) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H17N3O/c1-7-13-11(6-12(18)15-14(13)17-16-7)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H2,15,16,17,18)/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539816 (CHEMBL4645613) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)c1cc(=O)[nH]c2n[nH]c(C)c12 |r| Show InChI InChI=1S/C14H17N3O/c1-7-13-11(6-12(18)15-14(13)17-16-7)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H2,15,16,17,18)/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020) Article DOI: 10.1021/acs.jmedchem.0c00359 BindingDB Entry DOI: 10.7270/Q2JS9V08
					More data for this Ligand-Target Pair