BDBM50111448 CHEMBL440473::N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-piperazin-2-yl]-acetamide

SMILES: Clc1cc(nc(n1)-n1ccnc1)N1CCNCC1CC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=QYLNRQYDJBVTSP-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 = 50111448   

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))	BDBM50111448 (CHEMBL440473 | N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-...) Show SMILES Clc1cc(nc(n1)-n1ccnc1)N1CCNCC1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H22ClN7O3/c22-18-9-19(27-21(26-18)28-5-3-24-12-28)29-6-4-23-11-15(29)8-20(30)25-10-14-1-2-16-17(7-14)32-13-31-16/h1-3,5,7,9,12,15,23H,4,6,8,10-11,13H2,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against the partially purified human Inducible nitric oxide synthase				J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND
					More data for this Ligand-Target Pair