BDBM16847 (2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-2-{[(3S)-2-[2-(4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.2]octan-3-yl]formamido}propanoic acid::azabicyclo[2.2.2]octane derivative, 32
SMILES: COc1ccc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1
InChI Key: InChIKey=MIIWCUQFBQABLM-YHNPEFSSSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha4beta7 (Homo sapiens (Human)) | BDBM16847 ((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | 4 |
Johnson & Johnson Pharmaceutical | Assay Description M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad... | Bioorg Med Chem 13: 6693-702 (2005) Article DOI: 10.1016/j.bmc.2005.07.022 BindingDB Entry DOI: 10.7270/Q2TD9VM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha4beta1 (VLA-4) (Homo sapiens (Human)) | BDBM16847 ((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...) | PDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA.... | Bioorg Med Chem 13: 6693-702 (2005) Article DOI: 10.1016/j.bmc.2005.07.022 BindingDB Entry DOI: 10.7270/Q2TD9VM1 | |||||||||||
More data for this Ligand-Target Pair |