BDBM50060515 (S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid::(S)-4-Methylcarbamoyl-4-[2-((S)-2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid::CHEMBL76801
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
InChI Key: InChIKey=AMQIBXWOWKDTLX-AAMLTZJOSA-N
Data: 6 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 (Mus musculus) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay. | J Med Chem 40: 3534-41 (1997) Article DOI: 10.1021/jm970262k BindingDB Entry DOI: 10.7270/Q2NP253K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte adhesion molecule-1 (Mus musculus) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay. | J Med Chem 40: 3534-41 (1997) Article DOI: 10.1021/jm970262k BindingDB Entry DOI: 10.7270/Q2NP253K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Selectin E (Homo sapiens (Human)) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description Displacement of sialyl Lewis X (sLex) from selectin E | J Med Chem 41: 4279-87 (1998) Article DOI: 10.1021/jm980267x BindingDB Entry DOI: 10.7270/Q2474BHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte adhesion molecule-1 (Homo sapiens (Human)) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description Inhibition of Selectin L binding | J Med Chem 41: 4279-87 (1998) Article DOI: 10.1021/jm980267x BindingDB Entry DOI: 10.7270/Q2474BHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description Inhibition of Selectin P binding | J Med Chem 41: 4279-87 (1998) Article DOI: 10.1021/jm980267x BindingDB Entry DOI: 10.7270/Q2474BHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Selectin E (Mus musculus) | BDBM50060515 ((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Curated by ChEMBL | Assay Description In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding | J Med Chem 40: 3534-41 (1997) Article DOI: 10.1021/jm970262k BindingDB Entry DOI: 10.7270/Q2NP253K | |||||||||||
More data for this Ligand-Target Pair |