BDBM50093344 CHEMBL3586662::US9951014, Name 19a

SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F

InChI Key InChIKey=HEAUHZMVJKXAQR-UHFFFAOYSA-N

Data  8 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50093344   

TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent

LigandBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)Copy SMILESCopy InChI

Affinity DataKi:  8.13E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDB

In DepthDetails US Patent
Copy BDB DOI

TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL

LigandBDBM50093344(CHEMBL3586662 | US9951014, Name 19a)Copy SMILESCopy InChI

Affinity DataKi:  8.13E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI