BDBM50387337 CHEMBL2046631

SMILES: NCC1CCN(CC1)c1cccc(n1)C(=O)c1cccnc1N

InChI Key: InChIKey=SHVXNDZSSKGPKV-UHFFFAOYSA-N

Data: 1 KI

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 = 50387337   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM50387337 (CHEMBL2046631) Show SMILES NCC1CCN(CC1)c1cccc(n1)C(=O)c1cccnc1N Show InChI InChI=1S/C17H21N5O/c18-11-12-6-9-22(10-7-12)15-5-1-4-14(21-15)16(23)13-3-2-8-20-17(13)19/h1-5,8,12H,6-7,9-11,18H2,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCtheta				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair