BDBM50205980 CHEMBL223442::N-[(1,3-benzodioxol-5-yl)methyl]hexahydro-1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-1H-azepine-2-acetamide

SMILES: O=C(CC1CCCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=AVNPCOQLNCMCEC-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 = 50205980   

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))	BDBM50205980 (CHEMBL223442 | N-[(1,3-benzodioxol-5-yl)methyl]hex...) Show SMILES O=C(CC1CCCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N6O3/c30-22(26-14-17-5-6-19-20(12-17)32-16-31-19)13-18-4-2-1-3-10-29(18)21-7-8-25-23(27-21)28-11-9-24-15-28/h5-9,11-12,15,18H,1-4,10,13-14,16H2,(H,26,30)	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	2	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