Found 19 hits Enz. Inhib. hit(s) with Target = 'Amphiregulin' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Midkine
(Homo sapiens (Human)) | BDBM50454865
(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](COS(O)(=O)=O)[C@@H](OS(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](COS(O)(=O)=O)[C@@H](OS(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 |r| Show InChI InChI=1S/C96H91F17N2O42S4/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/h6-33,35-38,59-62,65-76,83-86H,34,39-47H2,1-5H3,(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)/t59-,60-,61-,62-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,83+,84+,85-,86+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Amphiregulin
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description
In vitro amphiregulin shedding inhibition |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50454863
(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](COS(O)(=O)=O)[C@@H](OS(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 |r| Show InChI InChI=1S/C57H50F17NO23S2/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/h3-16,18-21,35-36,39-44,48-49H,17,22-27H2,1-2H3,(H,82,83,84)(H,85,86,87)/t35-,36-,39-,40-,41-,42-,43+,44-,48+,49-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Amphiregulin
(Homo sapiens (Human)) | BDBM50291707
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description
In vitro amphiregulin shedding inhibition |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this
Ligand-Target Pair | |
Amphiregulin
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description
In vitro amphiregulin shedding inhibition |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this
Ligand-Target Pair | |
Amphiregulin
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description
In vitro amphiregulin shedding inhibition |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50454864
(CHEMBL4202957)Show SMILES [H][C@@]1(O[C@H]2[C@H](OCc3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@]([H])(O[C@H]3[C@H](OS(O)(=O)=O)[C@@H](COS(O)(=O)=O)O[C@@]([H])(O[C@H]4[C@H](OCc5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H](Oc5ccc(OC)cc5)O[C@@H]4C(=O)OCc4ccccc4)[C@@H]3NC(=O)C(F)(F)F)O[C@@H]2C(=O)OCc2ccccc2)O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OC(=O)CCC(C)=O)[C@H]1NC(=O)C(F)(F)F |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Amphiregulin
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description
In vitro amphiregulin shedding inhibition |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50454867
(CHEMBL4207050)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](OCc3ccccc3)[C@H]2O)cc1 |r| Show InChI InChI=1S/C28H37NO18S2/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/h3-11,19-28,30,32-33H,12-14H2,1-2H3,(H,29,31)(H,34,35,36)(H,37,38,39)/t19-,20-,21-,22-,23-,24-,25-,26-,27+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50454868
(CHEMBL4203669)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H31NO18S2/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/h3-6,12-21,23,25-27H,7-8H2,1-2H3,(H,22,24)(H,28,29,30)(H,31,32,33)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50454866
(CHEMBL4213376)Show SMILES [H][C@@]1(O[C@H]2[C@H](OS(O)(=O)=O)[C@@H](COS(O)(=O)=O)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@H](Oc4ccc(OC)cc4)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.54E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2018.01.022
BindingDB Entry DOI: 10.7270/Q2H41V1T |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50529728
(CHEMBL4540967)Show SMILES [H][C@]1(O[C@@H]2O[C@H](C(O)=O)[C@@]([H])(O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](O)[C@]([H])(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](OCCCCCCN=[N+]=[N-])[C@@H]1NC(C)=O |r| Show InChI InChI=1S/C34H55N5O29S2/c1-11(40)37-15-24(17(42)13(9-60-69(53,54)55)62-31(15)59-8-6-4-3-5-7-36-39-35)64-34-23(48)21(46)26(28(68-34)30(51)52)66-32-16(38-12(2)41)25(18(43)14(63-32)10-61-70(56,57)58)65-33-22(47)19(44)20(45)27(67-33)29(49)50/h13-28,31-34,42-48H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)/t13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to MDK (unknown origin) by SPR assay |
Eur J Med Chem 163: 583-596 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.004
BindingDB Entry DOI: 10.7270/Q2K64NJH |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50529728
(CHEMBL4540967)Show SMILES [H][C@]1(O[C@@H]2O[C@H](C(O)=O)[C@@]([H])(O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](O)[C@]([H])(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](OCCCCCCN=[N+]=[N-])[C@@H]1NC(C)=O |r| Show InChI InChI=1S/C34H55N5O29S2/c1-11(40)37-15-24(17(42)13(9-60-69(53,54)55)62-31(15)59-8-6-4-3-5-7-36-39-35)64-34-23(48)21(46)26(28(68-34)30(51)52)66-32-16(38-12(2)41)25(18(43)14(63-32)10-61-70(56,57)58)65-33-22(47)19(44)20(45)27(67-33)29(49)50/h13-28,31-34,42-48H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)/t13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to MDK (unknown origin) by SPR assay |
Eur J Med Chem 163: 583-596 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.004
BindingDB Entry DOI: 10.7270/Q2K64NJH |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50529729
(CHEMBL4436421)Show SMILES [H][C@@]1(O[C@@H]2O[C@H](C(O)=O)[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](O)[C@H]4O)C(O)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H](NC(C)=O)[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r| Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to MDK (unknown origin) by SPR assay |
Eur J Med Chem 163: 583-596 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.004
BindingDB Entry DOI: 10.7270/Q2K64NJH |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50529729
(CHEMBL4436421)Show SMILES [H][C@@]1(O[C@@H]2O[C@H](C(O)=O)[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](O)[C@H]4O)C(O)=O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H](NC(C)=O)[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r| Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to MDK (unknown origin) by SPR assay |
Eur J Med Chem 163: 583-596 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.004
BindingDB Entry DOI: 10.7270/Q2K64NJH |
More data for this
Ligand-Target Pair | |
Midkine
(Homo sapiens (Human)) | BDBM50364351
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/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)) | BDBM50364350
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.62 | n/a | n/a | n/a | n/a | n/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
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11.6 | n/a | n/a | n/a | n/a | n/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
(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 |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/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 | |
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