BDBM16810 (2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-{5-methoxy-2-[2-(morpholin-4-yl)ethyl]-3-oxo-2,3-dihydropyridazin-4-yl}phenyl)propanoic acid::(S)-2-(2,6-Dichloro-benzoylamino)-3-{4-[5-methoxy-2-(2-morpholin-4-yl-ethyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-phenyl}-propionic Acid::pyridazinone-based antagonist, 12
SMILES: COc1cnn(CCN2CCOCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
InChI Key: InChIKey=LARLBZSTMWGXMK-NRFANRHFSA-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)) | BDBM16810 ((2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-{5-met...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | 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... | J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha4beta1 (VLA-4) (Homo sapiens (Human)) | BDBM16810 ((2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-{5-met...) | PDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 360 | 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.... | J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V | |||||||||||
More data for this Ligand-Target Pair |