BDBM50205961 2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)pyrrolidin-2-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide::CHEMBL220632

SMILES: Cc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=KGCBJOGQMCNHQZ-QGZVFWFLSA-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 = 50205961   

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))	BDBM50205961 (2-((R)-1-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4...) Show SMILES Cc1cc(nc(n1)-n1ccnc1)N1CCC[C@@H]1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-9-20(26-22(25-15)27-8-6-23-13-27)28-7-2-3-17(28)11-21(29)24-12-16-4-5-18-19(10-16)31-14-30-18/h4-6,8-10,13,17H,2-3,7,11-12,14H2,1H3,(H,24,29)/t17-/m1/s1	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	0.120	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