Found 6 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)) | BDBM50421382
(CHEMBL2303848)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O |r| Show InChI InChI=1S/C22H39NO15/c1-4-33-20-11(23-8(3)26)19(38-22-17(32)15(30)13(28)9(5-24)35-22)18(10(6-25)36-20)37-21-16(31)14(29)12(27)7(2)34-21/h7,9-22,24-25,27-32H,4-6H2,1-3H3,(H,23,26)/t7-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+/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
| n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50421379
(CHEMBL2303849)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H43NO15/c1-3-42-29-19(32-28(41)16-9-8-14-6-4-5-7-15(14)10-16)27(47-31-25(40)23(38)21(36)17(11-33)44-31)26(18(12-34)45-29)46-30-24(39)22(37)20(35)13(2)43-30/h4-10,13,17-27,29-31,33-40H,3,11-12H2,1-2H3,(H,32,41)/t13-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,29+,30-,31-/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
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50421381
(CHEMBL2303851)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O |r| Show InChI InChI=1S/C22H39NO15/c1-4-33-20-11(23-8(3)26)19(38-21-16(31)14(29)12(27)7(2)34-21)18(10(6-25)36-20)37-22-17(32)15(30)13(28)9(5-24)35-22/h7,9-22,24-25,27-32H,4-6H2,1-3H3,(H,23,26)/t7-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,19+,20+,21-,22-/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
| n/a | n/a | >6.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50421380
(CHEMBL2303850)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H43NO15/c1-3-42-29-19(32-28(41)16-9-8-14-6-4-5-7-15(14)10-16)27(47-30-24(39)22(37)20(35)13(2)43-30)26(18(12-34)45-29)46-31-25(40)23(38)21(36)17(11-33)44-31/h4-10,13,17-27,29-31,33-40H,3,11-12H2,1-2H3,(H,32,41)/t13-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27+,29+,30-,31-/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
| n/a | n/a | >6.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50421382
(CHEMBL2303848)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O |r| Show InChI InChI=1S/C22H39NO15/c1-4-33-20-11(23-8(3)26)19(38-22-17(32)15(30)13(28)9(5-24)35-22)18(10(6-25)36-20)37-21-16(31)14(29)12(27)7(2)34-21/h7,9-22,24-25,27-32H,4-6H2,1-3H3,(H,23,26)/t7-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+/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
| n/a | n/a | >6.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50421379
(CHEMBL2303849)Show SMILES CCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H43NO15/c1-3-42-29-19(32-28(41)16-9-8-14-6-4-5-7-15(14)10-16)27(47-31-25(40)23(38)21(36)17(11-33)44-31)26(18(12-34)45-29)46-30-24(39)22(37)20(35)13(2)43-30/h4-10,13,17-27,29-31,33-40H,3,11-12H2,1-2H3,(H,32,41)/t13-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,29+,30-,31-/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
| n/a | n/a | >6.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E |
Bioorg Med Chem Lett 6: 2043-2048 (1996)
Article DOI: 10.1016/0960-894X(96)00370-8
BindingDB Entry DOI: 10.7270/Q2F76CJ2 |
More data for this
Ligand-Target Pair | |
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