BDBM50442698 CHEMBL2442287

SMILES: CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1

InChI Key: InChIKey=PSIMDRXAPBUVNE-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50442698   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442698 (CHEMBL2442287) Show SMILES CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1 Show InChI InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50442698 (CHEMBL2442287) Show SMILES CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1 Show InChI InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair