BDBM50438674 CHEMBL2414534

SMILES: CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1

InChI Key: InChIKey=HVEMOANMBXRPOK-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50438674   

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))	BDBM50438674 (CHEMBL2414534) Show SMILES CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50438674 (CHEMBL2414534) Show SMILES CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25)	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	117	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level				Bioorg Med Chem Lett 23: 5014-21 (2013) Article DOI: 10.1016/j.bmcl.2013.06.008 BindingDB Entry DOI: 10.7270/Q29S1SF2
					More data for this Ligand-Target Pair