BDBM50205938 CHEMBL424928::N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(2-furylmethyl)-2-piperazineacetamide

SMILES: O=C(CC1CN(Cc2ccco2)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=ZARLWMXTKBWNAF-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 = 50205938   

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))	BDBM50205938 (CHEMBL424928 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(Cc2ccco2)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C26H27N7O4/c34-25(29-14-19-3-4-22-23(12-19)37-18-36-22)13-20-15-31(16-21-2-1-11-35-21)9-10-33(20)24-5-6-28-26(30-24)32-8-7-27-17-32/h1-8,11-12,17,20H,9-10,13-16,18H2,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	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