BindingDB logo
myBDB logout

PubMed code 8642564

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P-selectin


(Homo sapiens (Human))		BDBM50050500
PNG
(CHEMBL3085443 | Sodium; 3,5-dihydroxy-2-[5-hydroxy...)
Show SMILES [Na+].CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]([C@@H]2O)S([O-])(=O)=O)[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/C48H92O17S.Na/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)32-60-46-41(55)44(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-42(56)45(66(57,58)59)38(52)35(30-49)62-48;/h33-56H,4-32H2,1-3H3,(H,57,58,59);/q;+1/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
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50050500
PNG
(CHEMBL3085443 | Sodium; 3,5-dihydroxy-2-[5-hydroxy...)
Show SMILES [Na+].CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]([C@@H]2O)S([O-])(=O)=O)[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/C48H92O17S.Na/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)32-60-46-41(55)44(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-42(56)45(66(57,58)59)38(52)35(30-49)62-48;/h33-56H,4-32H2,1-3H3,(H,57,58,59);/q;+1/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
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50050500
PNG
(CHEMBL3085443 | Sodium; 3,5-dihydroxy-2-[5-hydroxy...)
Show SMILES [Na+].CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]([C@@H]2O)S([O-])(=O)=O)[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/C48H92O17S.Na/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)32-60-46-41(55)44(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-42(56)45(66(57,58)59)38(52)35(30-49)62-48;/h33-56H,4-32H2,1-3H3,(H,57,58,59);/q;+1/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
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50422136
PNG
(CHEMBL2303852)
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](OC(=O)C3CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)[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/C61H112N2O22/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-40(31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-78-59-47(63-39(5)68)56(85-60-52(75)51(74)48(71)37(3)79-60)54(45(35-66)82-59)84-61-53(76)57(50(73)44(34-65)81-61)83-58(77)43-32-41(69)46(62-38(4)67)55(80-43)49(72)42(70)33-64/h37,40-57,59-61,64-66,69-76H,6-36H2,1-5H3,(H,62,67)(H,63,68)/t37-,41?,42?,43?,44-,45-,46?,47-,48+,49?,50-,51-,52-,53-,54+,55?,56+,57-,59+,60-,61-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422136
PNG
(CHEMBL2303852)
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](OC(=O)C3CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)[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/C61H112N2O22/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-40(31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-78-59-47(63-39(5)68)56(85-60-52(75)51(74)48(71)37(3)79-60)54(45(35-66)82-59)84-61-53(76)57(50(73)44(34-65)81-61)83-58(77)43-32-41(69)46(62-38(4)67)55(80-43)49(72)42(70)33-64/h37,40-57,59-61,64-66,69-76H,6-36H2,1-5H3,(H,62,67)(H,63,68)/t37-,41?,42?,43?,44-,45-,46?,47-,48+,49?,50-,51-,52-,53-,54+,55?,56+,57-,59+,60-,61-/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/an/a 2.50E+5n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50050501
PNG
(CHEMBL60263 | Sodium; 3,5-dihydroxy-2-[5-hydroxy-2...)
Show SMILES CC1OC(OC2C(O)COC(CO)C2OC2OC(CO)C(O)C(C2O)S([O-])(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C18H32O16S/c1-5-9(22)11(24)12(25)17(31-5)33-14-6(21)4-30-8(3-20)15(14)34-18-13(26)16(35(27,28)29)10(23)7(2-19)32-18/h5-26H,2-4H2,1H3,(H,27,28,29)/p-1
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/an/a 3.00E+5n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422136
PNG
(CHEMBL2303852)
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](OC(=O)C3CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)[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/C61H112N2O22/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-40(31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-78-59-47(63-39(5)68)56(85-60-52(75)51(74)48(71)37(3)79-60)54(45(35-66)82-59)84-61-53(76)57(50(73)44(34-65)81-61)83-58(77)43-32-41(69)46(62-38(4)67)55(80-43)49(72)42(70)33-64/h37,40-57,59-61,64-66,69-76H,6-36H2,1-5H3,(H,62,67)(H,63,68)/t37-,41?,42?,43?,44-,45-,46?,47-,48+,49?,50-,51-,52-,53-,54+,55?,56+,57-,59+,60-,61-/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/an/a 3.30E+5n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,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 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.00E+5n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50050501
PNG
(CHEMBL60263 | Sodium; 3,5-dihydroxy-2-[5-hydroxy-2...)
Show SMILES CC1OC(OC2C(O)COC(CO)C2OC2OC(CO)C(O)C(C2O)S([O-])(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C18H32O16S/c1-5-9(22)11(24)12(25)17(31-5)33-14-6(21)4-30-8(3-20)15(14)34-18-13(26)16(35(27,28)29)10(23)7(2-19)32-18/h5-26H,2-4H2,1H3,(H,27,28,29)/p-1
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/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,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 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50050501
PNG
(CHEMBL60263 | Sodium; 3,5-dihydroxy-2-[5-hydroxy-2...)
Show SMILES CC1OC(OC2C(O)COC(CO)C2OC2OC(CO)C(O)C(C2O)S([O-])(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C18H32O16S/c1-5-9(22)11(24)12(25)17(31-5)33-14-6(21)4-30-8(3-20)15(14)34-18-13(26)16(35(27,28)29)10(23)7(2-19)32-18/h5-26H,2-4H2,1H3,(H,27,28,29)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site

J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%