BDBM50205981 2-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]-4-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid, methyl ester::CHEMBL222619
SMILES: COC(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
InChI Key: InChIKey=BHPZTAGGZNBTOV-UHFFFAOYSA-N
Data: 1 IC50
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 |
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Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50205981 (2-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethy...) | 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 | 5.40 | 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 |