BDBM79913 (4aS,8R,8aS)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)methyl]-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::(4aS,8R,8aS)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-keto-2-veratryl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::(4aS,8R,8aS)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)methyl]-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide::MLS000882850::SMR000525481::cid_24747492

SMILES Cc1[nH]c(/C=C2C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc32)c(C)c1C(=O)NCC1CC(=O)c2ccccc2O1

InChI Key InChIKey=FNDOBFNOGHEDSY-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79913   

TargetG protein-coupled receptor kinase 5(Human)
Purdue Research Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 79913BDBM79913(US20250388567, Compound 41)
Affinity DataIC50: 100nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent

TargetBeta-adrenergic receptor kinase 1(Bovine)
Purdue Research Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 79913BDBM79913(US20250388567, Compound 41)
Affinity DataIC50: 1.00E+4nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent