BDBM50205971 CHEMBL223792::N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-[(phenylmethoxy)carbonyl]piperazine-2-acetamide

SMILES: O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)OCc1ccccc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=JMRAUIYBGKHYPA-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 = 50205971   

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))	BDBM50205971 (CHEMBL223792 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)OCc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C29H29N7O5/c37-27(32-16-22-6-7-24-25(14-22)41-20-40-24)15-23-17-34(29(38)39-18-21-4-2-1-3-5-21)12-13-36(23)26-8-9-31-28(33-26)35-11-10-30-19-35/h1-11,14,19,23H,12-13,15-18,20H2,(H,32,37)	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	0.800	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