Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50391988'   

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))	BDBM50391988 (CHEMBL2152423) Show SMILES COC(=O)N(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(30.13,-23.84,;28.59,-23.83,;27.81,-25.16,;28.57,-26.49,;26.27,-25.15,;25.51,-23.81,;25.5,-26.47,;26.25,-27.81,;25.48,-29.14,;23.94,-29.13,;23.17,-27.8,;23.95,-26.46,;23.17,-30.46,;21.65,-30.3,;21.03,-31.7,;22.16,-32.72,;22.16,-34.27,;23.5,-35.04,;24.83,-34.26,;26.29,-34.73,;27.2,-33.49,;26.29,-32.24,;24.83,-32.72,;23.49,-31.95,)| Show InChI InChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50391988 (CHEMBL2152423) Show SMILES COC(=O)N(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12 |r,wU:6.5,wD:9.12,(30.13,-23.84,;28.59,-23.83,;27.81,-25.16,;28.57,-26.49,;26.27,-25.15,;25.51,-23.81,;25.5,-26.47,;26.25,-27.81,;25.48,-29.14,;23.94,-29.13,;23.17,-27.8,;23.95,-26.46,;23.17,-30.46,;21.65,-30.3,;21.03,-31.7,;22.16,-32.72,;22.16,-34.27,;23.5,-35.04,;24.83,-34.26,;26.29,-34.73,;27.2,-33.49,;26.29,-32.24,;24.83,-32.72,;23.49,-31.95,)| Show InChI InChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)/t11-,12-	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	670	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