Found 5 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
E-selectin
(Homo sapiens (Human)) | BDBM50408429
(CHEMBL2029024)Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC Show InChI InChI=1S/C44H83N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)40(53)47-35(32-57-44-39(52)37(50)38(51)43(56)58-44)42(55)46-34(41(54)45-3)30-31-36(48)49/h33-35,37-39,43-44,50-52,56H,4-32H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t34?,35-,37+,38+,39+,43-,44-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | 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 41: 2302-7 (1998)
Article DOI: 10.1021/jm9707481
BindingDB Entry DOI: 10.7270/Q2T43TST |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50369359
(CHEMBL1791424)Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@H](C(C)O)[C@@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC |r| 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(33-57-45-40(53)39(52)41(58-45)34(3)49)44(56)47-36(43(55)46-4)31-32-38(50)51/h34-37,39-41,45,49,52-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,50,51)/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 | 3.10E+3 | 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 41: 2302-7 (1998)
Article DOI: 10.1021/jm9707481
BindingDB Entry DOI: 10.7270/Q2T43TST |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50064882
(4-[(S)-(R)-3-[3,4-Dihydroxy-5-(1-hydroxy-ethyl)-te...)Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C(C)O)C(O)C1O)C(=O)NC(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(33-57-45-40(53)39(52)41(58-45)34(3)49)44(56)47-36(43(55)46-4)31-32-38(50)51/h34-37,39-41,45,49,52-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,50,51)/p-1/t34?,36?,37-,39?,40?,41?,45?/m1/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 | 4.30E+3 | 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 41: 2302-7 (1998)
Article DOI: 10.1021/jm9707481
BindingDB Entry DOI: 10.7270/Q2T43TST |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50408430
(CHEMBL2029023)Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC Show InChI InChI=1S/C44H83N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)40(53)47-35(32-57-44-39(52)37(50)38(51)43(56)58-44)42(55)46-34(41(54)45-3)30-31-36(48)49/h33-35,37-39,43-44,50-52,56H,4-32H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t34?,35-,37-,38-,39-,43+,44+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 41: 2302-7 (1998)
Article DOI: 10.1021/jm9707481
BindingDB Entry DOI: 10.7270/Q2T43TST |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50408284
(CHEMBL2029056)Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O |r| Show InChI InChI=1S/C48H92O18S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34(29-27-25-23-21-19-17-15-13-11-9-7-5-2)32-60-46-42(56)45(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-41(55)44(66-67(57,58)59)38(52)35(30-49)62-48/h33-56H,4-32H2,1-3H3,(H,57,58,59)/p-1/t33-,35+,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+5 | 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 41: 2302-7 (1998)
Article DOI: 10.1021/jm9707481
BindingDB Entry DOI: 10.7270/Q2T43TST |
More data for this
Ligand-Target Pair | |
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