BDBM16854 (2S)-2-{[(3S)-2-[3-(4-chlorophenyl)propanoyl]-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}propanoic acid::azabicyclo[2.2.2]octane derivative, 39
SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccc(Cl)cc1
InChI Key: InChIKey=JEEOKYLRCHDMBV-XCLDNVFFSA-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 alpha-4/beta-7 (Homo sapiens (Human)) | BDBM16854 ((2S)-2-{[(3S)-2-[3-(4-chlorophenyl)propanoyl]-2-az...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 24 | 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 alpha-4/beta-1 [T112H] (Homo sapiens (Human)) | BDBM16854 ((2S)-2-{[(3S)-2-[3-(4-chlorophenyl)propanoyl]-2-az...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | 4 |
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 |