BDBM50097495 CHEMBL3586036

SMILES: COc1cc(Nc2ncc(F)c(NCC3CCN(C)CC3)n2)cc(c1)-n1nnnc1C

InChI Key: InChIKey=VUOXSNHBJYLQOK-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 = 50097495   

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))	BDBM50097495 (CHEMBL3586036) Show SMILES COc1cc(Nc2ncc(F)c(NCC3CCN(C)CC3)n2)cc(c1)-n1nnnc1C Show InChI InChI=1S/C20H26FN9O/c1-13-26-27-28-30(13)16-8-15(9-17(10-16)31-3)24-20-23-12-18(21)19(25-20)22-11-14-4-6-29(2)7-5-14/h8-10,12,14H,4-7,11H2,1-3H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins				Bioorg Med Chem 23: 3269-77 (2015) Article DOI: 10.1016/j.bmc.2015.04.050 BindingDB Entry DOI: 10.7270/Q2HM5B66
					More data for this Ligand-Target Pair