Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50006956 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 |
|---|
L-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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
P-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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
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 Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against E-selectin expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50056132
(2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...)Show SMILES CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C18H32O18S/c1-4-7(21)9(23)10(24)17(31-4)35-15-11(25)16(27)32-6(3-20)13(15)34-18-12(26)14(36-37(28,29)30)8(22)5(2-19)33-18/h4-27H,2-3H2,1H3,(H,28,29,30)/p-1 | 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 | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50056133
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O 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?/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 | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against E-selectin expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
L-selectin
(Homo sapiens (Human)) | BDBM50056132
(2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...)Show SMILES CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C18H32O18S/c1-4-7(21)9(23)10(24)17(31-4)35-15-11(25)16(27)32-6(3-20)13(15)34-18-12(26)14(36-37(28,29)30)8(22)5(2-19)33-18/h4-27H,2-3H2,1H3,(H,28,29,30)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
L-selectin
(Homo sapiens (Human)) | BDBM50056133
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O 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?/m1/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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50056132
(2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...)Show SMILES CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C18H32O18S/c1-4-7(21)9(23)10(24)17(31-4)35-15-11(25)16(27)32-6(3-20)13(15)34-18-12(26)14(36-37(28,29)30)8(22)5(2-19)33-18/h4-27H,2-3H2,1H3,(H,28,29,30)/p-1 | 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 |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against E-selectin expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50056133
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O 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?/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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kanebo Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells |
J Med Chem 40: 362-9 (1997)
Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0 |
More data for this
Ligand-Target Pair | |
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