BDBM50205905 CHEMBL376713::N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(methylsulfonyl)-2-piperazineacetamide

SMILES: O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)COCc1ccccc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=HPYBQXBLGMGFEK-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 = 50205905   

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))	BDBM50205905 (CHEMBL376713 | N-[(1,3-benzodioxol-5-yl)methyl]-1-...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)COCc1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C30H31N7O5/c38-28(33-16-23-6-7-25-26(14-23)42-21-41-25)15-24-17-35(29(39)19-40-18-22-4-2-1-3-5-22)12-13-37(24)27-8-9-32-30(34-27)36-11-10-31-20-36/h1-11,14,20,24H,12-13,15-19,21H2,(H,33,38)	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	0.5	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