BDBM50549222 CHEMBL2086791

SMILES C(c1nc2ccncc2[nH]1)c1c[nH]c2ccccc12

InChI Key InChIKey=IYXGZEZOEUQOLV-UHFFFAOYSA-N

Data  2 Kd

  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 2 hits for monomerid = 50549222   

TargetGTPase KRas(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50549222(CHEMBL2086791)
Affinity DataKd:  1.20E+6nMAssay Description:Binding affinity to human KRAS G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21(DE3) by HSQC NMR spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50549222(CHEMBL2086791)
Affinity DataKd:  1.30E+6nMAssay Description:Binding affinity to 15N-labelled GDP bound KRas G12D mutant ( 1 to 169 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed