Found 2 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)) | BDBM50373699
(CHEMBL270077)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C29H49NO19/c1-10-18(36)21(39)22(40)26(44-10)45-14-5-3-4-6-15(14)46-27-23(41)25(20(38)16(9-32)47-27)49-29(28(42)43)7-12(34)17(30-11(2)33)24(48-29)19(37)13(35)8-31/h10,12-27,31-32,34-41H,3-9H2,1-2H3,(H,30,33)(H,42,43)/t10-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25-,26-,27+,29-/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 | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to E-selectin |
Bioorg Med Chem 16: 1046-56 (2008)
Article DOI: 10.1016/j.bmc.2007.07.025
BindingDB Entry DOI: 10.7270/Q2QC04CH |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50373698
(CHEMBL271398)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/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 | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity to E-selectin |
Bioorg Med Chem 16: 1046-56 (2008)
Article DOI: 10.1016/j.bmc.2007.07.025
BindingDB Entry DOI: 10.7270/Q2QC04CH |
More data for this
Ligand-Target Pair | |
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