BDBM50304506 6-(4-Methylpiperazin-1-yl)-N4-(3-nitrobenzyl)pyrimidine-2,4-diamine::CHEMBL595880

SMILES: CN1CCN(CC1)c1cc(NCc2cccc(c2)[N+]([O-])=O)nc(N)n1

InChI Key: InChIKey=XMJISJMYQKSCRM-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 = 50304506   

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
Histamine H4 receptor (Homo sapiens (Human))	BDBM50304506 (6-(4-Methylpiperazin-1-yl)-N4-(3-nitrobenzyl)pyrim...) Show SMILES CN1CCN(CC1)c1cc(NCc2cccc(c2)[N+]([O-])=O)nc(N)n1 Show InChI InChI=1S/C16H21N7O2/c1-21-5-7-22(8-6-21)15-10-14(19-16(17)20-15)18-11-12-3-2-4-13(9-12)23(24)25/h2-4,9-10H,5-8,11H2,1H3,(H3,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-University Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2				Bioorg Med Chem 17: 7186-96 (2009) Article DOI: 10.1016/j.bmc.2009.08.059 BindingDB Entry DOI: 10.7270/Q2416X4F
					More data for this Ligand-Target Pair