BDBM50205914 CHEMBL220156::N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-imidazol-yl)-4-pyrimidinyl]-4-(phenylsulfonyl)-2-piperazineacetamide

SMILES: O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)S(=O)(=O)c1ccccc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=UXEWUEZKRXQCGG-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 = 50205914   

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))	BDBM50205914 (CHEMBL220156 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...) Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)S(=O)(=O)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C27H27N7O5S/c35-26(30-16-20-6-7-23-24(14-20)39-19-38-23)15-21-17-33(40(36,37)22-4-2-1-3-5-22)12-13-34(21)25-8-9-29-27(31-25)32-11-10-28-18-32/h1-11,14,18,21H,12-13,15-17,19H2,(H,30,35)	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	2.70	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