BDBM50205403 5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]-phenyl}-thiophene-2-carboxylic acid::CHEMBL373592
SMILES: OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O
InChI Key: InChIKey=UWEWOIYXLWDCAV-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-selectin (Homo sapiens (Human)) | BDBM50205403 (5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Revotar Biopharmaceuticals AG Curated by ChEMBL | Assay Description Inhibition of human P-selectin after 2 hrs | J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-selectin (Homo sapiens (Human)) | BDBM50205403 (5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Revotar Biopharmaceuticals AG Curated by ChEMBL | Assay Description Inhibition of human L-selectin after 2 hrs | J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E-selectin (Homo sapiens (Human)) | BDBM50205403 (5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Revotar Biopharmaceuticals AG Curated by ChEMBL | Assay Description Inhibition of human E-selectin after 2 hrs | J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6 | |||||||||||
More data for this Ligand-Target Pair |