Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50391985'   

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))	BDBM50391985 (CHEMBL2152421) Show SMILES N#Cc1cccc(CN[C@H]2CC[C@@H](CC2)n2cnc3cnc4[nH]ccc4c23)c1 |r,wU:9.8,wD:12.15,(1.74,-19.09,;2.51,-20.43,;3.28,-21.75,;4.82,-21.76,;5.59,-23.1,;4.81,-24.43,;3.27,-24.41,;2.49,-25.73,;.95,-25.72,;.17,-27.05,;.93,-28.39,;.16,-29.72,;-1.38,-29.71,;-2.15,-28.38,;-1.37,-27.04,;-2.15,-31.04,;-3.68,-30.88,;-4.3,-32.28,;-3.16,-33.3,;-3.16,-34.85,;-1.83,-35.62,;-.5,-34.84,;.97,-35.32,;1.88,-34.07,;.97,-32.82,;-.5,-33.3,;-1.84,-32.54,;2.5,-23.08,)| Show InChI InChI=1S/C22H22N6/c23-11-15-2-1-3-16(10-15)12-25-17-4-6-18(7-5-17)28-14-27-20-13-26-22-19(21(20)28)8-9-24-22/h1-3,8-10,13-14,17-18,25H,4-7,12H2,(H,24,26)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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))	BDBM50391985 (CHEMBL2152421) Show SMILES N#Cc1cccc(CN[C@H]2CC[C@@H](CC2)n2cnc3cnc4[nH]ccc4c23)c1 |r,wU:9.8,wD:12.15,(1.74,-19.09,;2.51,-20.43,;3.28,-21.75,;4.82,-21.76,;5.59,-23.1,;4.81,-24.43,;3.27,-24.41,;2.49,-25.73,;.95,-25.72,;.17,-27.05,;.93,-28.39,;.16,-29.72,;-1.38,-29.71,;-2.15,-28.38,;-1.37,-27.04,;-2.15,-31.04,;-3.68,-30.88,;-4.3,-32.28,;-3.16,-33.3,;-3.16,-34.85,;-1.83,-35.62,;-.5,-34.84,;.97,-35.32,;1.88,-34.07,;.97,-32.82,;-.5,-33.3,;-1.84,-32.54,;2.5,-23.08,)| Show InChI InChI=1S/C22H22N6/c23-11-15-2-1-3-16(10-15)12-25-17-4-6-18(7-5-17)28-14-27-20-13-26-22-19(21(20)28)8-9-24-22/h1-3,8-10,13-14,17-18,25H,4-7,12H2,(H,24,26)/t17-,18-	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	180	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