BDBM50196973 CHEMBL438669::N*4*-(4-aminomethyl-cyclohexylmethyl)-N*2*-(3-methyl-benzyl)-5-nitro-pyrimidine-2,4-diamine

SMILES: Cc1cccc(CNc2ncc(c(NCC3CCC(CN)CC3)n2)[N+]([O-])=O)c1

InChI Key: InChIKey=QNYQMKAUTZNFAF-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 = 50196973   

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))	BDBM50196973 (CHEMBL438669 | N*4*-(4-aminomethyl-cyclohexylmethy...) Show SMILES Cc1cccc(CNc2ncc(c(NCC3CCC(CN)CC3)n2)[N+]([O-])=O)c1 |(-9.6,-1.63,;-9.6,-.09,;-10.94,.68,;-10.94,2.22,;-9.61,2.99,;-8.28,2.22,;-6.94,2.98,;-5.61,2.21,;-4.27,2.98,;-4.27,4.53,;-2.94,5.3,;-1.61,4.53,;-1.6,2.98,;-.27,2.22,;-.27,.68,;1.07,-.09,;1.06,-1.63,;2.39,-2.39,;3.73,-1.63,;5.06,-2.4,;5.06,-3.94,;3.73,-.09,;2.39,.69,;-2.94,2.21,;-.27,5.31,;1.06,4.55,;-.28,6.85,;-8.27,.68,)| Show InChI InChI=1S/C20H28N6O2/c1-14-3-2-4-17(9-14)12-23-20-24-13-18(26(27)28)19(25-20)22-11-16-7-5-15(10-21)6-8-16/h2-4,9,13,15-16H,5-8,10-12,21H2,1H3,(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 Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PKCtheta by FP assay				Bioorg Med Chem Lett 17: 225-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.056 BindingDB Entry DOI: 10.7270/Q2PC3211
					More data for this Ligand-Target Pair