Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 10B
Ligand
BDBM95886
Substrate
n/a
EC50
10200±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS hits for a small molecule Caspase-8 TRAIL sensitizers in a luminescence panel assay PubChem Bioassay (2013)[AID] 
Target
Name:
Tumor necrosis factor receptor superfamily member 10B
Synonyms:
DR5 | KILLER | TNFRSF10B | TR10B_HUMAN | TRAILR2 | TRICK2 | ZTNFR9 | tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47869.76
Organism:
Homo sapiens (Human)
Description:
gi_224494019
Residue:
440
Sequence:
MEQRGQNAPAASGARKRHGPGPREARGARPGPRVPKTLVLVVAAVLLLVSAESALITQQDLAPQQRAAPQQKRSSPSEGLCPPGHHISEDGRDCISCKYGQDYSTHWNDLLFCLRCTRCDSGEVELSPCTTTRNTVCQCEEGTFREEDSPEMCRKCRTGCPRGMVKVGDCTPWSDIECVHKESGTKHSGEVPAVEETVTSSPGTPASPCSLSGIIIGVTVAAVVLIVAVFVCKSLLWKKVLPYLKGICSGGGGDPERVDRSSQRPGAEDNVLNEIVSILQPTQVPEQEMEVQEPAEPTGVNMLSPGESEHLLEPAEAERSQRRRLLVPANEGDPTETLRQCFDDFADLVPFDSWEPLMRKLGLMDNEIKVAKAEAAGHRDTLYTMLIKWVNKTGRDASVHTLLDALETLGERLAKQKIEDHLLSSGKFMYLEGNADSAMS
  
Inhibitor
Name:
BDBM95886
Synonyms:
(3S,4aS)-2-keto-3-[2-keto-2-(veratrylamino)ethyl]-1-(1-naphthylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester | (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-(1-naphthalenylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester | MLS003591135 | SMR002252430 | cid_53301042 | methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate | methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate
Type:
Small organic molecule
Emp. Form.:
C34H38N2O6
Mol. Mass.:
570.6753
SMILES:
COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=CCCCC2 |c:40|
Structure:
Search PDB for entries with ligand similarity: