BDBM50205926 CHEMBL442041::N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-2-piperidineacetamide

SMILES: O=C(CC1CCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=YCVKPMKXQJEDIS-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 = 50205926   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50205926 (CHEMBL442041 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c29-21(25-13-16-4-5-18-19(11-16)31-15-30-18)12-17-3-1-2-9-28(17)20-6-7-24-22(26-20)27-10-8-23-14-27/h4-8,10-11,14,17H,1-3,9,12-13,15H2,(H,25,29)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation				J Med Chem 50: 1146-57 (2007) Article DOI: 10.1021/jm061319i BindingDB Entry DOI: 10.7270/Q2SX6CWJ
					More data for this Ligand-Target Pair