Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50539833'   

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))	BDBM50539833 (CHEMBL4632766) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)| Show InChI InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/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	14	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))	BDBM50539833 (CHEMBL4632766) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)OC(=O)[C@@H]3CC3(F)F)c12 |r,wU:10.9,19.19,wD:13.16,(27.12,-30.36,;27.6,-31.82,;26.69,-33.06,;27.6,-34.31,;29.07,-33.84,;30.4,-34.6,;31.73,-33.84,;33.06,-34.61,;31.73,-32.3,;30.4,-31.51,;30.41,-29.97,;29.08,-29.21,;29.09,-27.66,;30.42,-26.9,;31.75,-27.68,;31.75,-29.21,;30.43,-25.36,;29.11,-24.59,;27.77,-25.35,;29.11,-23.05,;29.88,-21.72,;28.34,-21.71,;26.8,-21.71,;27.57,-20.38,;29.07,-32.3,)| Show InChI InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/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	420	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