BDBM50196978 CHEMBL246183::N2-(2,3-dichlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine

SMILES: NCC1CCC(CNc2nc(NCc3cccc(Cl)c3Cl)ncc2[N+]([O-])=O)CC1

InChI Key: InChIKey=ZDPPDDUFJSLJBY-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 = 50196978   

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))	BDBM50196978 (CHEMBL246183 | N2-(2,3-dichlorobenzyl)-N4-((4-(ami...) Show SMILES NCC1CCC(CNc2nc(NCc3cccc(Cl)c3Cl)ncc2[N+]([O-])=O)CC1 |(21.13,-47,;21.14,-45.46,;19.8,-44.69,;18.47,-45.45,;17.14,-44.68,;17.15,-43.15,;15.81,-42.38,;15.81,-40.84,;14.47,-40.07,;13.14,-40.85,;11.8,-40.08,;10.47,-40.84,;9.13,-40.07,;7.8,-40.84,;6.47,-40.07,;5.14,-40.83,;5.13,-42.38,;6.48,-43.15,;6.48,-44.69,;7.8,-42.38,;9.14,-43.14,;11.8,-38.53,;13.13,-37.76,;14.47,-38.52,;15.8,-37.75,;17.14,-38.51,;15.8,-36.21,;18.47,-42.37,;19.81,-43.14,)| Show InChI InChI=1S/C19H24Cl2N6O2/c20-15-3-1-2-14(17(15)21)10-24-19-25-11-16(27(28)29)18(26-19)23-9-13-6-4-12(8-22)5-7-13/h1-3,11-13H,4-10,22H2,(H2,23,24,25,26)	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	8	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