BDBM50196954 CHEMBL246177::N*4*-(4-aminomethyl-cyclohexylmethyl)-N*2*-biphenyl-2-ylmethyl-5-nitro-pyrimidine-2,4-diamine

SMILES: NCC1CCC(CNc2nc(NCc3ccccc3-c3ccccc3)ncc2[N+]([O-])=O)CC1

InChI Key: InChIKey=MAQYKHDNQAQWIO-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 = 50196954   

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))	BDBM50196954 (CHEMBL246177 | N*4*-(4-aminomethyl-cyclohexylmethy...) Show SMILES NCC1CCC(CNc2nc(NCc3ccccc3-c3ccccc3)ncc2[N+]([O-])=O)CC1 |(22.64,-27.42,;22.65,-25.88,;21.31,-25.1,;19.98,-25.87,;18.65,-25.1,;18.65,-23.57,;17.32,-22.8,;17.32,-21.26,;15.98,-20.49,;14.65,-21.26,;13.31,-20.49,;11.98,-21.26,;10.64,-20.49,;9.31,-21.26,;9.31,-22.79,;7.98,-23.56,;6.64,-22.79,;6.64,-21.25,;7.98,-20.48,;7.98,-18.94,;9.32,-18.18,;9.32,-16.64,;7.99,-15.87,;6.65,-16.64,;6.65,-18.18,;13.31,-18.95,;14.64,-18.18,;15.98,-18.94,;17.31,-18.16,;18.65,-18.93,;17.31,-16.62,;19.98,-22.78,;21.32,-23.56,)| Show InChI InChI=1S/C25H30N6O2/c26-14-18-10-12-19(13-11-18)15-27-24-23(31(32)33)17-29-25(30-24)28-16-21-8-4-5-9-22(21)20-6-2-1-3-7-20/h1-9,17-19H,10-16,26H2,(H2,27,28,29,30)	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
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