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PubMed code 25221666

Compile data set for download or QSAR
Found 20 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))		BDBM50026881
PNG
(CHEMBL3335530)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C45H54O19/c1-23(2)56-42(54)36(63-44-33(49)32(48)31(47)25(5)58-44)37(43(55)57-24(3)4)64-45-38(62-41(53)28-19-13-8-14-20-28)35(59-29(39(50)51)21-26-15-9-6-10-16-26)34(30(22-46)60-45)61-40(52)27-17-11-7-12-18-27/h6-20,23-25,29-38,44-49H,21-22H2,1-5H3,(H,50,51)/t25-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,44-,45-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50027066
PNG
(CHEMBL3335534)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OCCCCCn1cc(CCOC(=O)[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](OC(=O)c3ccccc3)[C@@H](O[C@@H](Cc3ccccc3)C(O)=O)[C@H]2OC(=O)c2ccccc2)C(=O)OC(C)C)nn1 |r|
Show InChI InChI=1S/C93H109N3O38/c1-49(2)119-88(115)76(133-92-78(129-84(111)57-36-22-11-23-37-57)72(123-60(80(105)106)44-53-28-14-7-15-29-53)70(62(47-97)125-92)127-82(109)55-32-18-9-19-33-55)74(131-90-68(103)66(101)64(99)51(5)121-90)86(113)117-42-27-13-26-41-96-46-59(94-95-96)40-43-118-87(114)75(132-91-69(104)67(102)65(100)52(6)122-91)77(89(116)120-50(3)4)134-93-79(130-85(112)58-38-24-12-25-39-58)73(124-61(81(107)108)45-54-30-16-8-17-31-54)71(63(48-98)126-93)128-83(110)56-34-20-10-21-35-56/h7-12,14-25,28-39,46,49-52,60-79,90-93,97-104H,13,26-27,40-45,47-48H2,1-6H3,(H,105,106)(H,107,108)/t51-,52-,60+,61-,62+,63-,64+,65+,66+,67+,68+,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,90-,91+,92-,93+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026887
PNG
(CHEMBL3335533)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OC(C)C |r|
Show InChI InChI=1S/C43H50O19/c1-22(2)55-41(53)35(61-42-31(47)30(46)29(45)23(3)56-42)34(40(52)54-4)62-43-36(60-39(51)26-18-12-7-13-19-26)33(57-27(37(48)49)20-24-14-8-5-9-15-24)32(28(21-44)58-43)59-38(50)25-16-10-6-11-17-25/h5-19,22-23,27-36,42-47H,20-21H2,1-4H3,(H,48,49)/t23-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,42-,43-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026870
PNG
(CHEMBL3335528)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C41H46O19/c1-21-27(43)28(44)29(45)40(54-21)59-32(38(50)52-2)33(39(51)53-3)60-41-34(58-37(49)24-17-11-6-12-18-24)31(55-25(35(46)47)19-22-13-7-4-8-14-22)30(26(20-42)56-41)57-36(48)23-15-9-5-10-16-23/h4-18,21,25-34,40-45H,19-20H2,1-3H3,(H,46,47)/t21-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,40-,41-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50400720
PNG
(CHEMBL2204272)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|
Show InChI InChI=1S/C34H42O18/c1-16-21(36)22(37)23(38)33(47-16)51-27(31(43)45-2)28(32(44)46-3)52-34-24(39)26(48-19(29(40)41)14-17-10-6-4-7-11-17)25(20(15-35)49-34)50-30(42)18-12-8-5-9-13-18/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22+,23-,24+,25-,26+,27+,28+,33-,34-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026882
PNG
(CHEMBL3335531)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC(C)C |r|
Show InChI InChI=1S/C38H50O18/c1-18(2)49-35(47)31(55-37-27(42)26(41)25(40)20(5)51-37)32(36(48)50-19(3)4)56-38-28(43)30(52-23(33(44)45)16-21-12-8-6-9-13-21)29(24(17-39)53-38)54-34(46)22-14-10-7-11-15-22/h6-15,18-20,23-32,37-43H,16-17H2,1-5H3,(H,44,45)/t20-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32+,37-,38-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026886
PNG
(CHEMBL3335532)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C43H50O19/c1-22(2)55-41(53)35(34(40(52)54-4)61-42-31(47)30(46)29(45)23(3)56-42)62-43-36(60-39(51)26-18-12-7-13-19-26)33(57-27(37(48)49)20-24-14-8-5-9-15-24)32(28(21-44)58-43)59-38(50)25-16-10-6-11-17-25/h5-19,22-23,27-36,42-47H,20-21H2,1-4H3,(H,48,49)/t23-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,42-,43-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026871
PNG
(CHEMBL3335529)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C38H50O18/c1-18(2)49-35(47)30(55-37-28(43)27(42)25(40)20(5)51-37)31(36(48)50-19(3)4)56-38-32(54-34(46)22-14-10-7-11-15-22)29(26(41)24(17-39)53-38)52-23(33(44)45)16-21-12-8-6-9-13-21/h6-15,18-20,23-32,37-43H,16-17H2,1-5H3,(H,44,45)/t20-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32+,37-,38-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026881
PNG
(CHEMBL3335530)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C45H54O19/c1-23(2)56-42(54)36(63-44-33(49)32(48)31(47)25(5)58-44)37(43(55)57-24(3)4)64-45-38(62-41(53)28-19-13-8-14-20-28)35(59-29(39(50)51)21-26-15-9-6-10-16-26)34(30(22-46)60-45)61-40(52)27-17-11-7-12-18-27/h6-20,23-25,29-38,44-49H,21-22H2,1-5H3,(H,50,51)/t25-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,44-,45-/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50026881
PNG
(CHEMBL3335530)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C45H54O19/c1-23(2)56-42(54)36(63-44-33(49)32(48)31(47)25(5)58-44)37(43(55)57-24(3)4)64-45-38(62-41(53)28-19-13-8-14-20-28)35(59-29(39(50)51)21-26-15-9-6-10-16-26)34(30(22-46)60-45)61-40(52)27-17-11-7-12-18-27/h6-20,23-25,29-38,44-49H,21-22H2,1-5H3,(H,50,51)/t25-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,44-,45-/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026870
PNG
(CHEMBL3335528)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C41H46O19/c1-21-27(43)28(44)29(45)40(54-21)59-32(38(50)52-2)33(39(51)53-3)60-41-34(58-37(49)24-17-11-6-12-18-24)31(55-25(35(46)47)19-22-13-7-4-8-14-22)30(26(20-42)56-41)57-36(48)23-15-9-5-10-16-23/h4-18,21,25-34,40-45H,19-20H2,1-3H3,(H,46,47)/t21-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,40-,41-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50026870
PNG
(CHEMBL3335528)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C41H46O19/c1-21-27(43)28(44)29(45)40(54-21)59-32(38(50)52-2)33(39(51)53-3)60-41-34(58-37(49)24-17-11-6-12-18-24)31(55-25(35(46)47)19-22-13-7-4-8-14-22)30(26(20-42)56-41)57-36(48)23-15-9-5-10-16-23/h4-18,21,25-34,40-45H,19-20H2,1-3H3,(H,46,47)/t21-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,40-,41-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026871
PNG
(CHEMBL3335529)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C38H50O18/c1-18(2)49-35(47)30(55-37-28(43)27(42)25(40)20(5)51-37)31(36(48)50-19(3)4)56-38-32(54-34(46)22-14-10-7-11-15-22)29(26(41)24(17-39)53-38)52-23(33(44)45)16-21-12-8-6-9-13-21/h6-15,18-20,23-32,37-43H,16-17H2,1-5H3,(H,44,45)/t20-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32+,37-,38-/m0/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50026871
PNG
(CHEMBL3335529)
Show SMILES CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|
Show InChI InChI=1S/C38H50O18/c1-18(2)49-35(47)30(55-37-28(43)27(42)25(40)20(5)51-37)31(36(48)50-19(3)4)56-38-32(54-34(46)22-14-10-7-11-15-22)29(26(41)24(17-39)53-38)52-23(33(44)45)16-21-12-8-6-9-13-21/h6-15,18-20,23-32,37-43H,16-17H2,1-5H3,(H,44,45)/t20-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32+,37-,38-/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026869
PNG
(CHEMBL3335527)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/m0/s1
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n/an/a 5.20E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50400721
PNG
(CHEMBL2204273)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|
Show InChI InChI=1S/C27H38O17/c1-11-15(29)17(31)18(32)26(40-11)43-21(24(36)38-2)22(25(37)39-3)44-27-19(33)20(16(30)14(10-28)42-27)41-13(23(34)35)9-12-7-5-4-6-8-12/h4-8,11,13-22,26-33H,9-10H2,1-3H3,(H,34,35)/t11-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+,26-,27-/m0/s1
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n/an/a 8.80E+5n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50026869
PNG
(CHEMBL3335527)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/m0/s1
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n/an/a 1.90E+6n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50026869
PNG
(CHEMBL3335527)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/m0/s1
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n/an/a 2.08E+6n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50400721
PNG
(CHEMBL2204273)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|
Show InChI InChI=1S/C27H38O17/c1-11-15(29)17(31)18(32)26(40-11)43-21(24(36)38-2)22(25(37)39-3)44-27-19(33)20(16(30)14(10-28)42-27)41-13(23(34)35)9-12-7-5-4-6-8-12/h4-8,11,13-22,26-33H,9-10H2,1-3H3,(H,34,35)/t11-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+,26-,27-/m0/s1
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n/an/a 4.84E+6n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50400721
PNG
(CHEMBL2204273)
Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|
Show InChI InChI=1S/C27H38O17/c1-11-15(29)17(31)18(32)26(40-11)43-21(24(36)38-2)22(25(37)39-3)44-27-19(33)20(16(30)14(10-28)42-27)41-13(23(34)35)9-12-7-5-4-6-8-12/h4-8,11,13-22,26-33H,9-10H2,1-3H3,(H,34,35)/t11-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+,26-,27-/m0/s1
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n/an/a 5.46E+6n/an/an/an/an/an/a



Institut de Recherches Cliniques de Montr£al (IRCM)

Curated by ChEMBL


Assay Description
Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay

ACS Med Chem Lett 5: 1054-9 (2014)


Article DOI: 10.1021/ml500266x
BindingDB Entry DOI: 10.7270/Q2KW5HNG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%