BDBM17925 2-(4-{[(3aR,4S,6aS)-5-[2-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]carbonyl}piperazin-1-yl)acetic acid::Piperazinylacetic acid derivative, 11d
SMILES: COc1cc(CC(=O)N2C[C@@H]3OC(C)(C)O[C@@H]3[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
InChI Key: InChIKey=SETXDYDGZNPFMT-WIRXVTQYSA-N
Data: 1 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 |
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Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human)) | BDBM17925 (2-(4-{[(3aR,4S,6aS)-5-[2-(3-methoxy-4-{[(2-methylp...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Daiichi Pharmaceutical | Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera... | Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H | |||||||||||
More data for this Ligand-Target Pair |