BDBM16822 (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]-2-{[phenyl(propyl)carbamoyl]amino}propanoic acid::pyridazinone-based antagonist, 27
SMILES: CCCN(C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cnn(C)c1=O)C(O)=O)c1ccccc1
InChI Key: InChIKey=ZXQSUUGXCWMVCZ-FQEVSTJZSA-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)) | BDBM16822 ((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 350 | 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 alpha-4/beta-1 [T112H] (Homo sapiens (Human)) | BDBM16822 ((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | 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 |