BDBM50205976 CHEMBL223838::N-[(1,3-benzodioxol-5-yl)methyl]-4-[(5-dimethylaminonaphthyl)sulfonyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1

InChI Key: InChIKey=PGJNLWRKGQTXCD-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 = 50205976   

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))	BDBM50205976 (CHEMBL223838 | N-[(1,3-benzodioxol-5-yl)methyl]-4-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C33H34N8O5S/c1-38(2)27-7-3-6-26-25(27)5-4-8-30(26)47(43,44)40-15-16-41(31-11-12-35-33(37-31)39-14-13-34-21-39)24(20-40)18-32(42)36-19-23-9-10-28-29(17-23)46-22-45-28/h3-14,17,21,24H,15-16,18-20,22H2,1-2H3,(H,36,42)	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	1.10	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