BDBM682700 US20240208940, Example 44

SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)c1cc(ccc1O[C@H]1CC[NH2+]C1)C(=O)N1CCC(CC1)Oc1cc(ccc1C#N)N1CC[NH2+]CC1

InChI Key InChIKey=QQTSKTWBOQEFNY-UHFFFAOYSA-P

Data  1 KI  1 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 2 hits for monomerid = 682700   

TargetCatenin beta -1 [E155A]/B-Cell CLL/Lymphoma 9 Protein [350-375]/Cadherin-1 [824-877](Homo sapiens (Human))
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM682700(US20240208940, Example 44)
Affinity DataIC50: 2.00E+3nMAssay Description:Full-length wild-type β-catenin (residues 1-781), full-length β-catenin D145 Å, or full-length β-catenin E155A were cloned into ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCatenin beta -1 [E155A]/B-Cell CLL/Lymphoma 9 Protein [350-375]/Cadherin-1 [824-877](Homo sapiens (Human))
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM682700(US20240208940, Example 44)
Affinity DataKi: <2.00E+3nMAssay Description:Full-length wild-type β-catenin (residues 1-781), full-length β-catenin D145 Å, or full-length β-catenin E155A were cloned into ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent