BDBM50166921 CHEMBL3797300

SMILES: CC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1

InChI Key: InChIKey=PKNUEHBCMNVIHP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50166921   

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 JAK2 (Homo sapiens (Human))	BDBM50166921 (CHEMBL3797300) Show SMILES CC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C22H26N6O2/c1-15(29)26-17-7-5-16(6-8-17)20-18-13-19(27(2)21(18)25-14-24-20)22(30)23-9-12-28-10-3-4-11-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,30)(H,26,29)	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	155	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK2 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr...				Bioorg Med Chem Lett 26: 2936-2941 (2016) Article DOI: 10.1016/j.bmcl.2016.04.027 BindingDB Entry DOI: 10.7270/Q2GB25ZS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50166921 (CHEMBL3797300) Show SMILES CC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C22H26N6O2/c1-15(29)26-17-7-5-16(6-8-17)20-18-13-19(27(2)21(18)25-14-24-20)22(30)23-9-12-28-10-3-4-11-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,30)(H,26,29)	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of JAK2 in GMCSF-stimulated human TF1 cells assessed as suppression of STAT5 phosphorylation preincubated for 2 hrs followed by GMCSF stim...				Bioorg Med Chem Lett 26: 2936-2941 (2016) Article DOI: 10.1016/j.bmcl.2016.04.027 BindingDB Entry DOI: 10.7270/Q2GB25ZS
					More data for this Ligand-Target Pair