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PubMed code 9379443

Compile data set for download or QSAR
Found 17 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))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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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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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061131
PNG
((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[3,6...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(OS([O-])(=O)=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)39(55-57(49,50)51)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 2.40E+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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061127
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2-O...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1OS([O-])(=O)=O)[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(32-50-40-39(52-53(47,48)49)38(46)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 2.50E+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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061129
PNG
((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C63H97NO12S/c1-4-6-8-10-12-14-16-18-20-22-24-26-37-45-57(71-48-54-41-33-29-34-42-54)56(64-59(66)46-38-27-25-23-21-19-17-15-13-11-9-7-5-2)50-73-63-62(72-49-55-43-35-30-36-44-55)61(76-77(67,68)69)60(74-52(3)65)58(75-63)51-70-47-53-39-31-28-32-40-53/h28-37,39-45,56-58,60-63H,4-27,38,46-51H2,1-3H3,(H,64,66)(H,67,68,69)/p-1/b45-37+/t56-,57+,58?,60?,61?,62?,63?/m0/s1
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n/an/a 4.30E+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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061121
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-1-[[6-O-(sodium o...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(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(42)33(31-50-40-39(46)38(45)37(44)35(52-40)32-51-53(47,48)49)41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42,44-46H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1
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n/an/a 1.20E+4n/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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061134
PNG
((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[4-O...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(OS([O-])(=O)=O)C(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)37(45)39(35(31-42)51-40)52-53(47,48)49)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 1.25E+4n/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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50061123
PNG
(((Z)-2-Hydroxy-1-hydroxymethyl-heptadec-3-enyl)-ca...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(CO)NC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1
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n/an/a>5.00E+4n/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

J Med Chem 40: 3234-47 (1997)


Article DOI: 10.1021/jm9606960
BindingDB Entry DOI: 10.7270/Q21Z454Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%