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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Midkine'   
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
Midkine


(Homo sapiens (Human))
BDBM50364350
PNG
(CHEMBL1950106)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)O[C@H](COS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C51H84N6O42S5/c1-22(58)54-31-33(62)38(98-103(78,79)80)25(19-89-101(72,73)74)91-47(31)94-42-35(64)37(66)50(97-44(42)46(69)70)93-40-32(55-23(2)59)48(92-26(20-90-102(75,76)77)39(40)99-104(81,82)83)95-41-34(63)36(65)49(96-43(41)45(67)68)88-12-9-53-29(61)7-10-84-13-15-86-17-18-87-16-14-85-11-8-52-28(60)6-4-3-5-27-30-24(21-100-27)56-51(71)57-30/h24-27,30-44,47-50,62-66H,3-21H2,1-2H3,(H,52,60)(H,53,61)(H,54,58)(H,55,59)(H,67,68)(H,69,70)(H2,56,57,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)/p-4/t24-,25+,26+,27-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,47-,48-,49+,50+/s2
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n/an/an/a 2.62n/an/an/an/an/a



Tottori University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant midkine after 3 mins


Bioorg Med Chem Lett 22: 1371-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.054
BindingDB Entry DOI: 10.7270/Q2MP53R3
More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50364352
PNG
(CHEMBL1950108)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)O[C@H](CO)[C@@H]2OS([O-])(=O)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C51H84N6O39S4/c1-22(59)54-31-33(63)38(95-99(76,77)78)26(20-87-98(73,74)75)89-47(31)91-42-35(65)37(67)50(94-44(42)46(70)71)90-40-32(55-23(2)60)48(88-25(19-58)39(40)96-100(79,80)81)92-41-34(64)36(66)49(93-43(41)45(68)69)86-12-9-53-29(62)7-10-82-13-15-84-17-18-85-16-14-83-11-8-52-28(61)6-4-3-5-27-30-24(21-97-27)56-51(72)57-30/h24-27,30-44,47-50,58,63-67H,3-21H2,1-2H3,(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H,68,69)(H,70,71)(H2,56,57,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-3/t24-,25+,26+,27-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,47-,48-,49+,50+/s2
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n/an/an/a 11.6n/an/an/an/an/a



Tottori University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant midkine after 3 mins


Bioorg Med Chem Lett 22: 1371-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.054
BindingDB Entry DOI: 10.7270/Q2MP53R3
More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50364351
PNG
(CHEMBL1950107)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)O[C@H](CO)[C@@H]2OS([O-])(=O)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C51H84N6O36S3/c1-22(60)54-31-33(64)38(92-95(74,75)76)25(19-58)85-47(31)88-42-35(66)37(68)50(91-44(42)46(71)72)87-40-32(55-23(2)61)48(86-26(20-59)39(40)93-96(77,78)79)89-41-34(65)36(67)49(90-43(41)45(69)70)84-12-9-53-29(63)7-10-80-13-15-82-17-18-83-16-14-81-11-8-52-28(62)6-4-3-5-27-30-24(21-94-27)56-51(73)57-30/h24-27,30-44,47-50,58-59,64-68H,3-21H2,1-2H3,(H,52,62)(H,53,63)(H,54,60)(H,55,61)(H,69,70)(H,71,72)(H2,56,57,73)(H,74,75,76)(H,77,78,79)/p-2/t24-,25+,26+,27-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,47-,48-,49+,50+/s2
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n/an/an/a 17.8n/an/an/an/an/a



Tottori University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant midkine after 3 mins


Bioorg Med Chem Lett 22: 1371-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.054
BindingDB Entry DOI: 10.7270/Q2MP53R3
More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50364349
PNG
(CHEMBL1950105)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C51H84N6O30S/c1-22(60)54-31-35(66)33(64)25(19-58)81-47(31)84-42-37(68)39(70)50(87-44(42)46(73)74)83-40-32(55-23(2)61)48(82-26(20-59)34(40)65)85-41-36(67)38(69)49(86-43(41)45(71)72)80-12-9-53-29(63)7-10-76-13-15-78-17-18-79-16-14-77-11-8-52-28(62)6-4-3-5-27-30-24(21-88-27)56-51(75)57-30/h24-27,30-44,47-50,58-59,64-70H,3-21H2,1-2H3,(H,52,62)(H,53,63)(H,54,60)(H,55,61)(H,71,72)(H,73,74)(H2,56,57,75)/t24-,25+,26+,27-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,47-,48-,49+,50+/s2
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n/an/an/a 2.03E+3n/an/an/an/an/a



Tottori University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant midkine after 3 mins


Bioorg Med Chem Lett 22: 1371-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.054
BindingDB Entry DOI: 10.7270/Q2MP53R3
More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454864
PNG
(CHEMBL4202957)
Show SMILES COc1ccc(O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OC(=O)CCC(C)=O)[C@H]5NC(=O)C(F)(F)F)[C@H](OCc5ccccc5)[C@H]4OC(=O)c4ccccc4)C(=O)OCc4ccccc4)[C@H]3NC(=O)C(F)(F)F)[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C82H82F6N2O40S4/c1-45(91)33-38-56(92)121-61-57(89-79(97)81(83,84)85)75(119-54(43-116-131(99,100)101)59(61)129-133(105,106)107)125-66-64(113-40-47-23-11-4-12-24-47)70(123-72(94)51-31-19-8-20-32-51)78(128-68(66)74(96)115-42-49-27-15-6-16-28-49)124-62-58(90-80(98)82(86,87)88)76(120-55(44-117-132(102,103)104)60(62)130-134(108,109)110)126-65-63(112-39-46-21-9-3-10-22-46)69(122-71(93)50-29-17-7-18-30-50)77(118-53-36-34-52(111-2)35-37-53)127-67(65)73(95)114-41-48-25-13-5-14-26-48/h3-32,34-37,54-55,57-70,75-78H,33,38-44H2,1-2H3,(H,89,97)(H,90,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)/t54-,55-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69-,70-,75+,76+,77-,78-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454868
PNG
(CHEMBL4203669)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[SH+](O)(O)[O-])[C@@H](O[SH+](O)(O)[O-])[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H35NO18S2/c1-9(24)22-14-15(25)19(40-42(31,32)33)13(8-35-41(28,29)30)38-20(14)39-18-12(7-23)37-21(17(27)16(18)26)36-11-5-3-10(34-2)4-6-11/h3-6,12-21,23,25-29,31-32,41-42H,7-8H2,1-2H3,(H,22,24)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-/m1/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454867
PNG
(CHEMBL4207050)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[SH+](O)(O)[O-])[C@@H](O[SH+](O)(O)[O-])[C@H](O)[C@H]3NC(C)=O)[C@H](OCc3ccccc3)[C@H]2O)cc1
Show InChI InChI=1S/C28H41NO18S2/c1-15(31)29-21-22(32)24(47-49(37,38)39)20(14-42-48(34,35)36)45-27(21)46-25-19(12-30)44-28(43-18-10-8-17(40-2)9-11-18)23(33)26(25)41-13-16-6-4-3-5-7-16/h3-11,19-28,30,32-35,37-38,48-49H,12-14H2,1-2H3,(H,29,31)/t19-,20-,21-,22-,23-,24-,25-,26-,27+,28-/m1/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454866
PNG
(CHEMBL4213376)
Show SMILES COc1ccc(O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)C(O)=O)cc1
Show InChI InChI=1S/C35H50N2O36S4/c1-10(38)36-16-18(40)23(72-76(55,56)57)14(8-62-74(49,50)51)65-32(16)68-26-20(42)22(44)35(71-29(26)31(47)48)67-25-17(37-11(2)39)33(66-15(9-63-75(52,53)54)24(25)73-77(58,59)60)69-27-19(41)21(43)34(70-28(27)30(45)46)64-13-6-4-12(61-3)5-7-13/h4-7,14-29,32-35,40-44H,8-9H2,1-3H3,(H,36,38)(H,37,39)(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,32+,33+,34-,35-/m1/s1
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n/an/a 2.54E+5n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454865
PNG
(CHEMBL4209610)
Show SMILES COc1ccc(O[C@@H]2O[C@H](COC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O[C@@H]3O[C@H](CO[SH+](O)(O)[O-])[C@@H](O[SH+](O)(O)[O-])[C@H](O[C@@H]4O[C@H](COC(=O)C(C)(C)C)[C@@H](O[C@@H]5O[C@H](CO[SH+](O)(O)[O-])[C@@H](O[SH+](O)(O)[O-])[C@H](OC(=O)CCC(C)=O)[C@H]5N5C(=O)c6ccccc6C5=O)[C@H](OCc5ccccc5)[C@H]4OC(=O)c4ccccc4)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C96H99F17N2O42S4/c1-48(116)34-39-64(118)150-71-65(114-77(119)55-30-18-19-31-56(55)78(114)120)83(146-61(46-143-158(126,127)128)69(71)156-160(132,133)134)154-68-60(45-142-87(125)88(2,3)4)149-86(76(152-82(124)52-28-16-9-17-29-52)74(68)141-43-50-24-12-7-13-25-50)155-72-66(115-79(121)57-32-20-21-33-58(57)80(115)122)84(147-62(47-144-159(129,130)131)70(72)157-161(135,136)137)153-67-59(44-139-63(117)40-41-89(97,98)90(99,100)91(101,102)92(103,104)93(105,106)94(107,108)95(109,110)96(111,112)113)148-85(145-54-37-35-53(138-5)36-38-54)75(151-81(123)51-26-14-8-15-27-51)73(67)140-42-49-22-10-6-11-23-49/h6-33,35-38,59-62,65-76,83-86,126-127,129-130,132-133,135-136,158-161H,34,39-47H2,1-5H3/t59-,60-,61-,62-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,83+,84+,85-,86+/m1/s1
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n/an/a 206n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair
Midkine


(Homo sapiens (Human))
BDBM50454863
PNG
(CHEMBL4206352)
Show SMILES COc1ccc(O[C@@H]2O[C@H](COC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O[C@@H]3O[C@H](CO[SH+](O)(O)[O-])[C@@H](O[SH+](O)(O)[O-])[C@H](OC(=O)CCC(C)=O)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C57H54F17NO23S2/c1-28(76)17-22-38(78)95-42-39(75-45(79)33-15-9-10-16-34(33)46(75)80)48(93-36(27-91-99(82,83)84)41(42)98-100(85,86)87)97-40-35(26-89-37(77)23-24-50(58,59)51(60,61)52(62,63)53(64,65)54(66,67)55(68,69)56(70,71)57(72,73)74)94-49(92-32-20-18-31(88-2)19-21-32)44(96-47(81)30-13-7-4-8-14-30)43(40)90-25-29-11-5-3-6-12-29/h3-16,18-21,35-36,39-44,48-49,82-83,85-86,99-100H,17,22-27H2,1-2H3/t35-,36-,39-,40-,41-,42-,43+,44-,48+,49-/m1/s1
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n/an/a 396n/an/an/an/an/an/a



CSIC and Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...


Bioorg Med Chem 26: 1076-1085 (2018)

More data for this
Ligand-Target Pair