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Compile Data Set for Download or QSAR

Found 352 hits Enz. Inhib. hit(s) with Target = 'P-selectin'   
Target
(Institution)
LigandTarget
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/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422189
PNG
(CHEMBL2303775)
Show SMILES CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCN([C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(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)C(C)=O
Show InChI InChI=1S/C52H88N2O18S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-39(58)53-28-31-73-30-26-29-54(36(3)57)50-45(65)49(72-51-44(64)43(63)41(61)35(2)68-51)47(38(33-56)69-50)71-52-46(66)48(67-34-40(59)60)42(62)37(32-55)70-52/h35,37-38,41-52,55-56,61-66H,4-14,19-34H2,1-3H3,(H,53,58)(H,59,60)/t35-,37-,38-,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,51-,52-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Lawrence Berkeley National Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin P IgG chimera binding to HL-60 cells, by binding to Selectin P


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061136
PNG
((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C61H95NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(70-46-51-38-30-27-31-39-51)54(62-57(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)49-73-61-60(72-48-53-42-34-29-35-43-53)59(71-47-52-40-32-28-33-41-52)58(76-78(67,68)69)56(75-61)50-74-77(64,65)66/h27-36,38-44,54-56,58-61H,3-26,37,45-50H2,1-2H3,(H,62,63)(H,64,65,66)(H,67,68,69)/p-2/b44-36+/t54-,55+,56?,58?,59?,60?,61?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061124
PNG
((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-37-39-32-28-27-29-33-39)40(48-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-47-46(62-64(55,56)57)45(61-63(52,53)54)44(51)42(36-49)60-47/h27-30,32-34,40-42,44-47,49,51H,3-26,31,35-38H2,1-2H3,(H,48,50)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50369315
PNG
(CHEMBL1627019)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-52-40-39(55-57(49,50)51)38(54-56(46,47)48)37(45)35(31-42)53-40/h27,29,33-35,37-40,42-43,45H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061130
PNG
((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC2COC(OC2C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)c1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C54H87NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-47(63-41-44-35-29-27-30-36-44)46(55-49(56)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)42-64-54-52(69-71(60,61)62)51(68-70(57,58)59)50-48(66-54)43-65-53(67-50)45-37-31-28-32-38-45/h27-33,35-39,46-48,50-54H,3-26,34,40-43H2,1-2H3,(H,55,56)(H,57,58,59)(H,60,61,62)/p-2/b39-33+/t46-,47+,48?,50?,51?,52?,53?,54?/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50100510
PNG
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexad...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O
Show InChI InChI=1S/C47H54N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32-48-42(52)30-20-34-16-22-37(23-17-34)44-45(38-24-18-35(19-25-38)21-31-43(53)54)50-46(49-44)39-28-26-36(27-29-39)40-33-41(47(55)56)57-51-40/h16-31,33H,2-15,32H2,1H3,(H,48,52)(H,49,50)(H,53,54)(H,55,56)
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n/an/a 130n/an/an/an/an/an/a



Ontogen Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against P-selectin using ELISA-based assay


J Med Chem 44: 2094-107 (2001)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50100507
PNG
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexad...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O
Show InChI InChI=1S/C47H56N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32-48-42(52)30-20-34-16-22-37(23-17-34)44-45(38-24-18-35(19-25-38)21-31-43(53)54)50-46(49-44)39-28-26-36(27-29-39)40-33-41(47(55)56)57-51-40/h16-31,41H,2-15,32-33H2,1H3,(H,48,52)(H,49,50)(H,53,54)(H,55,56)
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n/an/a 290n/an/an/an/an/an/a



Ontogen Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against P-selectin using ELISA-based assay


J Med Chem 44: 2094-107 (2001)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060511
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060512
PNG
((R)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m1/s1
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Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060514
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1
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Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061125
PNG
((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C47H83NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(56-36-39-32-28-27-29-33-39)40(37-57-47-46(52)45(51)44(50)42(59-47)38-58-60(53,54)55)48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,32-34,40-42,44-47,50-52H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,53,54,55)/p-1/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425864
PNG
(CHEMBL2312649)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O11/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)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37-,39-,40-,41+,45+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425871
PNG
(CHEMBL2312651)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@H]1CCCCNC1=O
Show InChI InChI=1S/C23H29Cl2N7O2/c1-32-8-5-16(6-9-32)28-21(33)18-13-27-23(29-17-11-14(24)10-15(25)12-17)31-20(18)30-19-4-2-3-7-26-22(19)34/h10-13,16,19H,2-9H2,1H3,(H,26,34)(H,28,33)(H2,27,29,30,31)/t19-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50091500
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O11/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)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37?,39?,40?,41?,45?/m1/s1
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound was determined against Selectin P binding by ELISA assay


Bioorg Med Chem Lett 10: 1827-30 (2000)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422276
PNG
(CHEMBL2303755)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O11/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)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37+,39+,40+,41-,45-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50050960
PNG
(CHEMBL7864 | Pentacosa-10,12-diynoic acid (2-hydro...)
Show SMILES CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)28-25-26-29/h29H,2-12,17-26H2,1H3,(H,28,30)
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n/an/a 500n/an/an/an/an/an/a



Lawrence Berkeley National Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin P IgG chimera binding to HL-60 cells, by binding to Selectin P


Citation and Details
More data for this
Ligand-Target Pair
P-selectin


(Mus musculus)
BDBM50060514
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205383
PNG
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1
Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
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n/an/a 570n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425870
PNG
(CHEMBL2311550)
Show SMILES CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C21H28Cl2N6O2/c1-3-15(12-30)25-19-18(20(31)26-16-4-6-29(2)7-5-16)11-24-21(28-19)27-17-9-13(22)8-14(23)10-17/h8-11,15-16,30H,3-7,12H2,1-2H3,(H,26,31)(H2,24,25,27,28)/t15-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060515
PNG
((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061133
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[3-O...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061128
PNG
(1N-[2-hydroxy-1-(5-hydroxy-6-hydroxymethyltetrahyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1CC(OS([O-])(=O)=O)C(O)C(CO)O1)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C40H77NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)34(33-49-39-31-36(51-52(46,47)48)40(45)37(32-42)50-39)41-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-37,39-40,42-43,45H,3-26,28,30-33H2,1-2H3,(H,41,44)(H,46,47,48)/p-1/b29-27+/t34-,35+,36?,37?,39?,40?/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O11/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)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37-,39-,40-,41+,45+/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin


(Mus musculus)
BDBM50060511
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205368
PNG
((5-{3-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1
Show InChI InChI=1S/C25H19NO6S/c27-20-9-8-19(23(30)24(20)31)14-3-1-5-16(11-14)25(32)26-17-6-2-4-15(12-17)21-10-7-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
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n/an/a 740n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205377
PNG
(CHEMBL220254 | {2'-[(3,4,5-trihydroxybenzoyl)oxy]-...)
Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C21H16O7/c22-16-10-14(11-17(23)20(16)26)21(27)28-18-7-2-1-6-15(18)13-5-3-4-12(8-13)9-19(24)25/h1-8,10-11,22-23,26H,9H2,(H,24,25)
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n/an/a 870n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061122
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-3-(benzoyloxy)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-36-39-32-28-27-29-33-39)40(48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-47-46(62-64(55,56)57)45(51)44(50)42(61-47)38-60-63(52,53)54/h27-30,32-34,40-42,44-47,50-51H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50292393
PNG
(CHEMBL507352 | phosphatidyl glycerol)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
Show InChI InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b13-11+,18-17+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of immobilized sulfatide from P-selectin transfected in african green monkey COS cells by IgG-based competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50071583
PNG
(2-{{2-[6-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-ethoxy...)
Show SMILES CCOCCOCCOCCOCCCCOCC1OC(CC(=O)N(C(C)C(=O)NCC(=O)OC)C(CCC(O)=O)C(O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C31H54N2O17/c1-4-45-11-12-47-15-16-48-14-13-46-9-5-6-10-49-19-23-28(39)29(40)27(38)22(50-23)17-24(34)33(21(31(42)43)7-8-25(35)36)20(2)30(41)32-18-26(37)44-3/h20-23,27-29,38-40H,4-19H2,1-3H3,(H,32,41)(H,35,36)(H,42,43)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin


Bioorg Med Chem Lett 8: 2333-8 (1999)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(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
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ontogen Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against P-selectin using ELISA-based assay


J Med Chem 44: 2094-107 (2001)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...


Bioorg Med Chem Lett 8: 3307-10 (1999)

More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425873
PNG
(CHEMBL2312648)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2Cl)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C26H37Cl2N7O/c1-34(2)21-7-5-19(6-8-21)31-24-22(25(36)32-20-10-12-35(3)13-11-20)16-30-26(33-24)29-15-17-14-18(27)4-9-23(17)28/h4,9,14,16,19-21H,5-8,10-13,15H2,1-3H3,(H,32,36)(H2,29,30,31,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205396
PNG
(3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...)
Show SMILES OC(=O)c1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205394
PNG
((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...)
Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O
Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061132
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2,6...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-39(55-57(49,50)51)38(45)37(44)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425872
PNG
(CHEMBL2312650)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C22H28Cl2N6O2/c1-30-6-2-16(3-7-30)27-21(31)19-13-25-22(28-18-11-14(23)10-15(24)12-18)29-20(19)26-17-4-8-32-9-5-17/h10-13,16-17H,2-9H2,1H3,(H,27,31)(H2,25,26,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205403
PNG
(5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...)
Show SMILES OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O
Show InChI InChI=1S/C24H17NO6S/c26-18-9-8-15(21(27)22(18)28)13-4-3-5-14(12-13)23(29)25-17-7-2-1-6-16(17)19-10-11-20(32-19)24(30)31/h1-12,26-28H,(H,25,29)(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061135
PNG
((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C56H91NO15S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-50(66-42-47-36-30-28-31-37-47)49(57-52(59)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)44-68-56-55(67-43-48-38-32-29-33-39-48)54(72-74(63,64)65)53(70-46(3)58)51(71-56)45-69-73(60,61)62/h28-34,36-40,49-51,53-56H,4-27,35,41-45H2,1-3H3,(H,57,59)(H,60,61,62)(H,63,64,65)/p-2/b40-34+/t49-,50+,51?,53?,54?,55?,56?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425861
PNG
(CHEMBL2312645)
Show SMILES COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
Show InChI InChI=1S/C24H34N6O2/c1-30-13-11-19(12-14-30)28-23(31)20-16-26-24(29-22(20)27-18-8-4-5-9-18)25-15-17-7-3-6-10-21(17)32-2/h3,6-7,10,16,18-19H,4-5,8-9,11-15H2,1-2H3,(H,28,31)(H2,25,26,27,29)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425869
PNG
(CHEMBL2312653)
Show SMILES Cc1cc(on1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCNCC1
Show InChI InChI=1S/C19H20Cl2N6O/c1-11-6-17(28-27-11)16-10-23-19(25-15-8-12(20)7-13(21)9-15)26-18(16)24-14-2-4-22-5-3-14/h6-10,14,22H,2-5H2,1H3,(H2,23,24,25,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50067552
PNG
(2-[(R)-2-(2-Tetradecyl-hexadecanoylamino)-3-(3,4,5...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)OC
Show InChI InChI=1S/C45H84N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(53)47-37(33-57-45-41(52)40(51)39(50)34(3)58-45)43(54)46-36(44(55)56-4)31-32-38(48)49/h34-37,39-41,45,50-52H,5-33H2,1-4H3,(H,46,54)(H,47,53)(H,48,49)/t34?,36?,37-,39?,40?,41?,45?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50061137
PNG
((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[4,6...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-38(45)37(44)39(55-57(49,50)51)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Selectin P in a cell-free binding assay


Citation and Details
More data for this
Ligand-Target Pair
P-selectin


(Mus musculus)
BDBM50060512
PNG
((R)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using selectin-IgG chimeras in a Selectin P competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
P-selectin


(Mus musculus)
BDBM50060515
PNG
((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205385
PNG
(CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-ace...)
Show SMILES OC(=O)Cc1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)16(12)23)7-14(20)17-11-3-1-2-9(4-11)8-15(21)22/h1-6,18-19,23H,7-8H2,(H,17,20)(H,21,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50205375
PNG
(CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...)
Show SMILES OC(=O)Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
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