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Compile Data Set for Download or QSAR

Found 47 hits of ic50 data for polymerid = 50001480   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 (Human))
BDBM50324667
PNG
(1,6-bis[3-(3-carboxymethylphenyl)-4-(2-R-D-mannopy...)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201916
PNG
(8-sec-butyl-2-(4-chlorophenyl)-3-hydroxyquinoline-...)
Show SMILES CCC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClNO3/c1-3-11(2)14-5-4-6-15-16(20(24)25)19(23)17(22-18(14)15)12-7-9-13(21)10-8-12/h4-11,23H,3H2,1-2H3,(H,24,25)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201931
PNG
(6-bromo-2-(4-chlorophenyl)-3-hydroxy-8-methylquino...)
Show SMILES Cc1cc(Br)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11BrClNO3/c1-8-6-10(18)7-12-13(17(22)23)16(21)15(20-14(8)12)9-2-4-11(19)5-3-9/h2-7,21H,1H3,(H,22,23)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201984
PNG
(2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-...)
Show SMILES OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12
Show InChI InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)

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


(Homo sapiens (Human))
BDBM50201947
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-(thien-3-yl)quinoli...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccsc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H12ClNO3S/c21-13-6-4-11(5-7-13)17-19(23)16(20(24)25)15-3-1-2-14(18(15)22-17)12-8-9-26-10-12/h1-10,23H,(H,24,25)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50324665
PNG
(3-Hydroxy-2-(1-phenylethyl)-7,8,9,10-tetrahydroben...)
Show SMILES CC(c1ccccc1)c1nc2c3CCCCc3ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C22H21NO3/c1-13(14-7-3-2-4-8-14)19-21(24)18(22(25)26)17-12-11-15-9-5-6-10-16(15)20(17)23-19/h2-4,7-8,11-13,24H,5-6,9-10H2,1H3,(H,25,26)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)

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


(Homo sapiens (Human))
BDBM50201944
PNG
(3-hydroxy-7,8-dimethyl-2-(3-(trifluoromethoxy)phen...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H14F3NO4/c1-9-6-7-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-3-5-12(8-11)27-19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201906
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoro...)
Show SMILES Cc1cc(OC(F)(F)F)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H11ClF3NO4/c1-8-6-11(27-18(20,21)22)7-12-13(17(25)26)16(24)15(23-14(8)12)9-2-4-10(19)5-3-9/h2-7,24H,1H3,(H,25,26)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201928
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-isopropylquinoline-...)
Show SMILES CC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3/c1-10(2)13-4-3-5-14-15(19(23)24)18(22)16(21-17(13)14)11-6-8-12(20)9-7-11/h3-10,22H,1-2H3,(H,23,24)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201932
PNG
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethoxy)phen...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3NO4/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)27-19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
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n/an/a 2.40E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201938
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-trifluoromethylquin...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO3/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)17(19,20)21/h1-7,23H,(H,24,25)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201911
PNG
(3-hydroxy-2-(4-isopropylphenyl)-7,8-dimethylquinol...)
Show SMILES CC(C)c1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C21H21NO3/c1-11(2)14-6-8-15(9-7-14)19-20(23)17(21(24)25)16-10-5-12(3)13(4)18(16)22-19/h5-11,23H,1-4H3,(H,24,25)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201942
PNG
(2-(4-(diethylamino)phenyl)-3-hydroxy-7,8-dimethylq...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C22H24N2O3/c1-5-24(6-2)16-10-8-15(9-11-16)20-21(25)18(22(26)27)17-12-7-13(3)14(4)19(17)23-20/h7-12,25H,5-6H2,1-4H3,(H,26,27)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50324664
PNG
(3-Hydroxy-2-(1-phenylcyclopropyl)-7,8,9,10-tetrahy...)
Show SMILES OC(=O)c1c(O)c(nc2c3CCCCc3ccc12)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H21NO3/c25-20-18(22(26)27)17-11-10-14-6-4-5-9-16(14)19(17)24-21(20)23(12-13-23)15-7-2-1-3-8-15/h1-3,7-8,10-11,25H,4-6,9,12-13H2,(H,26,27)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)

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


(Homo sapiens (Human))
BDBM50201910
PNG
(2-(4-chlorophenyl)-8-(dimethylaminophenyl)-3-hydro...)
Show SMILES CN(C)c1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O3/c1-27(2)17-12-8-14(9-13-17)18-4-3-5-19-20(24(29)30)23(28)21(26-22(18)19)15-6-10-16(25)11-7-15/h3-13,28H,1-2H3,(H,29,30)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201897
PNG
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201922
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-12-15(8-11-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
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n/an/a 3.75E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201914
PNG
(2-(4-bromophenyl)-3-hydroxy-7,8-dimethylquinoline-...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H14BrNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201917
PNG
(2-(3-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H14ClNO3/c1-9-6-7-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-3-5-12(19)8-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201977
PNG
(2-benzyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quin...)
Show SMILES OC(=O)c1c(O)c(Cc2ccccc2)nc2c3CCCCc3ccc12
Show InChI InChI=1S/C21H19NO3/c23-20-17(12-13-6-2-1-3-7-13)22-19-15-9-5-4-8-14(15)10-11-16(19)18(20)21(24)25/h1-3,6-7,10-11,23H,4-5,8-9,12H2,(H,24,25)
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n/an/a 4.13E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)

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


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 4.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201920
PNG
(2-(4-chlorophenyl)-3-hydroxy-6,8-dimethylquinoline...)
Show SMILES Cc1cc(C)c2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-7-10(2)15-13(8-9)14(18(22)23)17(21)16(20-15)11-3-5-12(19)6-4-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 5.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201899
PNG
(2-(4-chlorophenyl)-8-ethyl-3-hydroxyquinoline-4-ca...)
Show SMILES CCc1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-2-10-4-3-5-13-14(18(22)23)17(21)16(20-15(10)13)11-6-8-12(19)9-7-11/h3-9,21H,2H2,1H3,(H,22,23)
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n/an/a 5.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201933
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-(trifluoromethoxy)q...)
Show SMILES OC(=O)c1c(O)c(nc2c(OC(F)(F)F)cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO4/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)26-17(19,20)21/h1-7,23H,(H,24,25)
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n/an/a 5.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201895
PNG
(8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(Cl)cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22)
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n/an/a 6.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201892
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25)
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n/an/a 6.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201926
PNG
(8-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)
Show SMILES OC(=O)c1c(O)c(nc2c(Br)cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClNO3/c17-11-3-1-2-10-12(16(21)22)15(20)13(19-14(10)11)8-4-6-9(18)7-5-8/h1-7,20H,(H,21,22)
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n/an/a 6.25E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201893
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-methylquinoline-4-c...)
Show SMILES Cc1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(17(21)22)16(20)15(19-14(9)12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22)
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n/an/a 7.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201904
PNG
(3-hydroxy-2-(4-methoxyphenyl)-7,8-dimethylquinolin...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C19H17NO4/c1-10-4-9-14-15(19(22)23)18(21)17(20-16(14)11(10)2)12-5-7-13(24-3)8-6-12/h4-9,21H,1-3H3,(H,22,23)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201894
PNG
(3-hydroxy-7,8-dimethyl-2-p-tolylquinoline-4-carbox...)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C19H17NO3/c1-10-4-7-13(8-5-10)17-18(21)15(19(22)23)14-9-6-11(2)12(3)16(14)20-17/h4-9,21H,1-3H3,(H,22,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201900
PNG
(6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(Br)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201943
PNG
(3-hydroxy-7,8-dimethyl-2-(4-morpholinophenyl)quino...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H22N2O4/c1-13-3-8-17-18(22(26)27)21(25)20(23-19(17)14(13)2)15-4-6-16(7-5-15)24-9-11-28-12-10-24/h3-8,25H,9-12H2,1-2H3,(H,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201929
PNG
(2-(4-chlorophenyl)-3,6-dihydroxyquinoline-4-carbox...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(O)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10ClNO4/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(19)5-6-12(11)18-14/h1-7,19-20H,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201896
PNG
(2-(4-chlorophenyl)-3-hydroxy-7-isopropylquinoline-...)
Show SMILES CC(C)c1ccc2c(C(O)=O)c(O)c(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3/c1-10(2)12-5-8-14-15(9-12)21-17(18(22)16(14)19(23)24)11-3-6-13(20)7-4-11/h3-10,22H,1-2H3,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201950
PNG
(8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyqu...)
Show SMILES OC(=O)c1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H14ClNO5/c24-15-10-8-13(9-11-15)19-21(26)18(23(29)30)17-3-1-2-16(20(17)25-19)12-4-6-14(7-5-12)22(27)28/h1-11,26H,(H,27,28)(H,29,30)
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n/an/a 1.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201924
PNG
(3-hydroxy-7,8-dimethyl-2-phenylquinoline-4-carboxy...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-10-8-9-13-14(18(21)22)17(20)16(19-15(13)11(10)2)12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H,21,22)
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n/an/a 1.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201913
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)qu...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO3/c18-10-4-1-8(2-5-10)14-15(23)13(16(24)25)11-7-9(17(19,20)21)3-6-12(11)22-14/h1-7,23H,(H,24,25)
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n/an/a 1.60E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201908
PNG
(2-(4-chlorophenyl)-3-hydroxy-7-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2cc(ccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-11-8-15(12-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
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n/an/a 2.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201903
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-(4-hydroxymethylphe...)
Show SMILES OCc1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16ClNO4/c24-16-10-8-15(9-11-16)20-22(27)19(23(28)29)18-3-1-2-17(21(18)25-20)14-6-4-13(12-26)5-7-14/h1-11,26-27H,12H2,(H,28,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50111451
PNG
(2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbam...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1
Show InChI InChI=1S/C29H35N3O11/c1-15(16-7-3-2-4-8-16)31-28(40)18-10-6-5-9-17(18)27(39)30-14-21-25(37)26(38)24(36)20(43-21)13-22(33)32-19(29(41)42)11-12-23(34)35/h2-10,15,19-21,24-26,36-38H,11-14H2,1H3,(H,30,39)(H,31,40)(H,32,33)(H,34,35)(H,41,42)/t15-,19+,20?,21?,24?,25?,26?/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of P-selectin glycoprotein ligand 1 (PSGL-1) fusion protein to immobilized soluble P-selectin in a P-selectin assay.


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


(Homo sapiens (Human))
BDBM50201915
PNG
(6-amino-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)
Show SMILES Nc1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN2O3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,18H2,(H,21,22)
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n/an/a 3.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201912
PNG
(3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethylquinolin...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(O)cc1
Show InChI InChI=1S/C18H15NO4/c1-9-3-8-13-14(18(22)23)17(21)16(19-15(13)10(9)2)11-4-6-12(20)7-5-11/h3-8,20-21H,1-2H3,(H,22,23)
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n/an/a 3.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201937
PNG
(2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10ClNO3/c17-10-7-5-9(6-8-10)14-15(19)13(16(20)21)11-3-1-2-4-12(11)18-14/h1-8,19H,(H,20,21)
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n/an/a 4.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
BDBM50201927
PNG
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
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Article
PubMed
n/an/a 6.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)

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


(Homo sapiens (Human))
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 1.50E+7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)

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


(Homo sapiens (Human))
BDBM50111452
PNG
((4R,5S)-5-[({[6-({[(1S)-1,3-dicarboxypropyl]carbam...)
Show SMILES C[C@@H]1O[C@@H](OC2C(NC(C)=O)C(O)O[C@@H](CO)[C@H]2OC2OC(CO)[C@H](O)[C@H](OC3(C[C@@H](O)[C@H](NC(=O)NCC4OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C4O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]2O)C(O)C(O)C1O
Show InChI InChI=1S/C43H70N4O32/c1-11-24(57)29(62)31(64)39(72-11)77-35-23(45-12(2)51)38(68)74-19(10-50)33(35)76-40-32(65)36(28(61)18(9-49)75-40)79-43(41(69)70)6-14(52)22(34(78-43)25(58)15(53)8-48)47-42(71)44-7-17-27(60)30(63)26(59)16(73-17)5-20(54)46-13(37(66)67)3-4-21(55)56/h11,13-19,22-36,38-40,48-50,52-53,57-65,68H,3-10H2,1-2H3,(H,45,51)(H,46,54)(H,55,56)(H,66,67)(H,69,70)(H2,44,47,71)/p-1/t11-,13-,14+,15+,16?,17?,18?,19-,22-,23?,24?,25+,26?,27?,28-,29?,30?,31?,32-,33+,34?,35?,36-,38?,39-,40?,43?/m0/s1
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n/an/a 2.50E+8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of P-selectin glycoprotein ligand 1 (PSGL-1) fusion protein to immobilized soluble P-selectin in a P-selectin assay.


Citation and Details
More data for this
Ligand-Target Pair