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BDBM50179255 CHEMBL265885::N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5R,6R)-4-{[(2R,3S,4S,5R,6R)-4-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-phenoxyacetamide

SMILES: OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=ISAXMIHTBIYNTG-MOUGKTGYSA-N

Data: 1 IC50  3 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50179255   
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
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50179255
PNG
(CHEMBL265885 | N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5...)
Show SMILES OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C38H59NO27/c40-6-13-20(47)25(52)33(34(58-13)39-18(45)11-57-12-4-2-1-3-5-12)66-38-29(56)32(23(50)17(10-44)62-38)65-37-28(55)31(22(49)16(9-43)61-37)64-36-27(54)30(21(48)15(8-42)60-36)63-35-26(53)24(51)19(46)14(7-41)59-35/h1-5,13-17,19-38,40-44,46-56H,6-11H2,(H,39,45)/t13-,14-,15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1
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n/an/an/a 7.10n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for VEGF by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50179255
PNG
(CHEMBL265885 | N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5...)
Show SMILES OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C38H59NO27/c40-6-13-20(47)25(52)33(34(58-13)39-18(45)11-57-12-4-2-1-3-5-12)66-38-29(56)32(23(50)17(10-44)62-38)65-37-28(55)31(22(49)16(9-43)61-37)64-36-27(54)30(21(48)15(8-42)60-36)63-35-26(53)24(51)19(46)14(7-41)59-35/h1-5,13-17,19-38,40-44,46-56H,6-11H2,(H,39,45)/t13-,14-,15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1
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n/an/an/a 660n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for FGF1 by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50179255
PNG
(CHEMBL265885 | N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5...)
Show SMILES OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C38H59NO27/c40-6-13-20(47)25(52)33(34(58-13)39-18(45)11-57-12-4-2-1-3-5-12)66-38-29(56)32(23(50)17(10-44)62-38)65-37-28(55)31(22(49)16(9-43)61-37)64-36-27(54)30(21(48)15(8-42)60-36)63-35-26(53)24(51)19(46)14(7-41)59-35/h1-5,13-17,19-38,40-44,46-56H,6-11H2,(H,39,45)/t13-,14-,15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1
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n/an/an/a 112n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for FGF2 by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50179255
PNG
(CHEMBL265885 | N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5...)
Show SMILES OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C38H59NO27/c40-6-13-20(47)25(52)33(34(58-13)39-18(45)11-57-12-4-2-1-3-5-12)66-38-29(56)32(23(50)17(10-44)62-38)65-37-28(55)31(22(49)16(9-43)61-37)64-36-27(54)30(21(48)15(8-42)60-36)63-35-26(53)24(51)19(46)14(7-41)59-35/h1-5,13-17,19-38,40-44,46-56H,6-11H2,(H,39,45)/t13-,14-,15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1
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PC cid
PC sid
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n/an/a 2.02E+3n/an/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair