Found 6 hits for monomerid = 50060514 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 |
Selectin E
(Mus musculus) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | 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 | |
P-selectin
(Mus musculus) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | 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
(Homo sapiens (Human)) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | 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 | 1.60E+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)) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | 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 | 300 | 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
(Homo sapiens (Human)) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | 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+5 | 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
(Mus musculus) | BDBM50060514
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)Show 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 Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+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 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 | |