Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50391979'   

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))	BDBM50391979 (CHEMBL2152415) Show SMILES N[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:4.7,1.0,(11.36,-7.55,;10.58,-8.87,;9.04,-8.86,;8.26,-10.19,;9.03,-11.53,;10.57,-11.53,;11.34,-10.21,;8.26,-12.85,;6.74,-12.7,;6.12,-14.1,;7.25,-15.12,;7.25,-16.66,;8.58,-17.43,;9.92,-16.65,;11.38,-17.13,;12.29,-15.88,;11.38,-14.64,;9.91,-15.11,;8.58,-14.35,)| Show InChI InChI=1S/C14H17N5/c15-9-1-3-10(4-2-9)19-8-18-12-7-17-14-11(13(12)19)5-6-16-14/h5-10H,1-4,15H2,(H,16,17)/t9-,10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50391979 (CHEMBL2152415) Show SMILES N[C@H]1CC[C@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:4.7,1.0,(11.36,-7.55,;10.58,-8.87,;9.04,-8.86,;8.26,-10.19,;9.03,-11.53,;10.57,-11.53,;11.34,-10.21,;8.26,-12.85,;6.74,-12.7,;6.12,-14.1,;7.25,-15.12,;7.25,-16.66,;8.58,-17.43,;9.92,-16.65,;11.38,-17.13,;12.29,-15.88,;11.38,-14.64,;9.91,-15.11,;8.58,-14.35,)| Show InChI InChI=1S/C14H17N5/c15-9-1-3-10(4-2-9)19-8-18-12-7-17-14-11(13(12)19)5-6-16-14/h5-10H,1-4,15H2,(H,16,17)/t9-,10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylation				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair