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PubMed code 8917642

Compile data set for download or QSAR
Found 4 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/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50050461
PNG
(5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-tr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C30H50N2O22/c1-8-16(39)18(41)20(43)27(49-8)50-22-11(31-9(2)35)7-48-14(6-34)23(22)51-28-21(44)19(42)25(26(45)52-28)54-30(29(46)47)4-12(37)15(32-10(3)36)24(53-30)17(40)13(38)5-33/h8,11-28,33-34,37-45H,4-7H2,1-3H3,(H,31,35)(H,32,36)(H,46,47)/t8-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,30-/m0/s1
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PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
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>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%