BindingDB logo
myBDB logout

BDBM50307386 CHEMBL604367::Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranoside, Hexadecasodium Salt

SMILES: CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=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](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=LCULSEGLGJAWDH-SXOSWXMBSA-A

Data: 4 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50307386   
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
Heparanase


(Homo sapiens (Human))		BDBM50307386
PNG
(CHEMBL604367 | Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha...)
Show SMILES CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=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](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C42H76O74S16/c1-2-3-4-5-6-7-8-9-10-11-12-91-38-33(31(111-127(73,74)75)26(109-125(67,68)69)21(97-38)16-95-120(52,53)54)105-41-36(115-131(85,86)87)30(25(108-124(64,65)66)20(100-41)15-94-119(49,50)51)103-39-34(113-129(79,80)81)28(23(106-122(58,59)60)18(98-39)13-92-117(43,44)45)102-40-35(114-130(82,83)84)29(24(107-123(61,62)63)19(99-40)14-93-118(46,47)48)104-42-37(116-132(88,89)90)32(112-128(76,77)78)27(110-126(70,71)72)22(101-42)17-96-121(55,56)57/h18-42H,2-17H2,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-16/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 280n/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase

J Med Chem 53: 1686-99 (2010)


Article DOI: 10.1021/jm901449m
BindingDB Entry DOI: 10.7270/Q2PG1SPH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))		BDBM50307386
PNG
(CHEMBL604367 | Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha...)
Show SMILES CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=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](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C42H76O74S16/c1-2-3-4-5-6-7-8-9-10-11-12-91-38-33(31(111-127(73,74)75)26(109-125(67,68)69)21(97-38)16-95-120(52,53)54)105-41-36(115-131(85,86)87)30(25(108-124(64,65)66)20(100-41)15-94-119(49,50)51)103-39-34(113-129(79,80)81)28(23(106-122(58,59)60)18(98-39)13-92-117(43,44)45)102-40-35(114-130(82,83)84)29(24(107-123(61,62)63)19(99-40)14-93-118(46,47)48)104-42-37(116-132(88,89)90)32(112-128(76,77)78)27(110-126(70,71)72)22(101-42)17-96-121(55,56)57/h18-42H,2-17H2,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-16/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 12n/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Binding affinity to VEGF by surface plasmon-based solution affinity assay

J Med Chem 53: 1686-99 (2010)


Article DOI: 10.1021/jm901449m
BindingDB Entry DOI: 10.7270/Q2PG1SPH
More data for this
Ligand-Target Pair
Fibroblast growth factor 2


(Homo sapiens (Human))		BDBM50307386
PNG
(CHEMBL604367 | Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha...)
Show SMILES CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=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](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C42H76O74S16/c1-2-3-4-5-6-7-8-9-10-11-12-91-38-33(31(111-127(73,74)75)26(109-125(67,68)69)21(97-38)16-95-120(52,53)54)105-41-36(115-131(85,86)87)30(25(108-124(64,65)66)20(100-41)15-94-119(49,50)51)103-39-34(113-129(79,80)81)28(23(106-122(58,59)60)18(98-39)13-92-117(43,44)45)102-40-35(114-130(82,83)84)29(24(107-123(61,62)63)19(99-40)14-93-118(46,47)48)104-42-37(116-132(88,89)90)32(112-128(76,77)78)27(110-126(70,71)72)22(101-42)17-96-121(55,56)57/h18-42H,2-17H2,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-16/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 480n/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Binding affinity to FGF2 by surface plasmon-based solution affinity assay

J Med Chem 53: 1686-99 (2010)


Article DOI: 10.1021/jm901449m
BindingDB Entry DOI: 10.7270/Q2PG1SPH
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))		BDBM50307386
PNG
(CHEMBL604367 | Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha...)
Show SMILES CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=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](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C42H76O74S16/c1-2-3-4-5-6-7-8-9-10-11-12-91-38-33(31(111-127(73,74)75)26(109-125(67,68)69)21(97-38)16-95-120(52,53)54)105-41-36(115-131(85,86)87)30(25(108-124(64,65)66)20(100-41)15-94-119(49,50)51)103-39-34(113-129(79,80)81)28(23(106-122(58,59)60)18(98-39)13-92-117(43,44)45)102-40-35(114-130(82,83)84)29(24(107-123(61,62)63)19(99-40)14-93-118(46,47)48)104-42-37(116-132(88,89)90)32(112-128(76,77)78)27(110-126(70,71)72)22(101-42)17-96-121(55,56)57/h18-42H,2-17H2,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-16/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 6.00E+3n/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Binding affinity to FGF1 by surface plasmon-based solution affinity assay

J Med Chem 53: 1686-99 (2010)


Article DOI: 10.1021/jm901449m
BindingDB Entry DOI: 10.7270/Q2PG1SPH
More data for this
Ligand-Target Pair