BDBM10017 (4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate::JMC503540 Compound 2::YM511 Analog 4::YM511-based dual aromatase-sulfatase inhibitor (DASI) 4::dual aromatase-sulfatase inhibitor 4

SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1

InChI Key InChIKey=WEXGHQDVDVWOIU-UHFFFAOYSA-N

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10017   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Bath

LigandBDBM10017((4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]m...)Copy SMILESCopy InChI

Affinity DataIC50:  27nMpH: 7.8 T: 2°CAssay Description:The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoDrugBankMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI