BDBM50192240 CHEMBL3941818::US10239870, Example 278

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1

InChI Key InChIKey=NIFGQHGFOUMQJN-KCWPFWIISA-N

Data  9 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192240   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192240(CHEMBL3941818 | US10239870, Example 278)
Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of human CYP1A2 expressed in microsomes using ER as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed