BDBM50152599 CHEMBL3781476

SMILES: CC(C)(CNC(=O)OC(C)(C)C)CNc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1

InChI Key: InChIKey=DWGKRFACNLEAAG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50152599 (CHEMBL3781476) Show SMILES CC(C)(CNC(=O)OC(C)(C)C)CNc1cc[nH]c(=O)c1-c1nc2CCCCc2[nH]1 Show InChI InChI=1S/C22H33N5O3/c1-21(2,3)30-20(29)25-13-22(4,5)12-24-16-10-11-23-19(28)17(16)18-26-14-8-6-7-9-15(14)27-18/h10-11H,6-9,12-13H2,1-5H3,(H,25,29)(H,26,27)(H2,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 26: 1803-8 (2016) BindingDB Entry DOI: 10.7270/Q23B6203
					More data for this Ligand-Target Pair