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BDBM50307391 8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl 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->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranoside, Tridecasodium Salt::CHEMBL590012

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[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](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=FKGOJYRHEWGRBI-QNARGWKSSA-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 = 50307391   
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))		BDBM50307391
PNG
(8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl ...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[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](OS([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/C44H70N2O62S14/c1-46(2)23-13-9-12-22-21(23)11-10-14-28(22)109(47,48)45-15-7-5-3-4-6-8-16-88-41-37(35(104-118(73,74)75)31(102-116(67,68)69)26(93-41)19-91-112(55,56)57)99-43-39(107-121(82,83)84)34(30(101-115(64,65)66)25(95-43)18-90-111(52,53)54)97-42-38(106-120(79,80)81)33(29(100-114(61,62)63)24(94-42)17-89-110(49,50)51)98-44-40(108-122(85,86)87)36(105-119(76,77)78)32(103-117(70,71)72)27(96-44)20-92-113(58,59)60/h9-14,24-27,29-45H,3-8,15-20H2,1-2H3,(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)/p-13/t24-,25-,26-,27-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 330n/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))		BDBM50307391
PNG
(8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl ...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[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](OS([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/C44H70N2O62S14/c1-46(2)23-13-9-12-22-21(23)11-10-14-28(22)109(47,48)45-15-7-5-3-4-6-8-16-88-41-37(35(104-118(73,74)75)31(102-116(67,68)69)26(93-41)19-91-112(55,56)57)99-43-39(107-121(82,83)84)34(30(101-115(64,65)66)25(95-43)18-90-111(52,53)54)97-42-38(106-120(79,80)81)33(29(100-114(61,62)63)24(94-42)17-89-110(49,50)51)98-44-40(108-122(85,86)87)36(105-119(76,77)78)32(103-117(70,71)72)27(96-44)20-92-113(58,59)60/h9-14,24-27,29-45H,3-8,15-20H2,1-2H3,(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)/p-13/t24-,25-,26-,27-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 8.90n/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))		BDBM50307391
PNG
(8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl ...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[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](OS([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/C44H70N2O62S14/c1-46(2)23-13-9-12-22-21(23)11-10-14-28(22)109(47,48)45-15-7-5-3-4-6-8-16-88-41-37(35(104-118(73,74)75)31(102-116(67,68)69)26(93-41)19-91-112(55,56)57)99-43-39(107-121(82,83)84)34(30(101-115(64,65)66)25(95-43)18-90-111(52,53)54)97-42-38(106-120(79,80)81)33(29(100-114(61,62)63)24(94-42)17-89-110(49,50)51)98-44-40(108-122(85,86)87)36(105-119(76,77)78)32(103-117(70,71)72)27(96-44)20-92-113(58,59)60/h9-14,24-27,29-45H,3-8,15-20H2,1-2H3,(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)/p-13/t24-,25-,26-,27-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 130n/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))		BDBM50307391
PNG
(8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl ...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[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](OS([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/C44H70N2O62S14/c1-46(2)23-13-9-12-22-21(23)11-10-14-28(22)109(47,48)45-15-7-5-3-4-6-8-16-88-41-37(35(104-118(73,74)75)31(102-116(67,68)69)26(93-41)19-91-112(55,56)57)99-43-39(107-121(82,83)84)34(30(101-115(64,65)66)25(95-43)18-90-111(52,53)54)97-42-38(106-120(79,80)81)33(29(100-114(61,62)63)24(94-42)17-89-110(49,50)51)98-44-40(108-122(85,86)87)36(105-119(76,77)78)32(103-117(70,71)72)27(96-44)20-92-113(58,59)60/h9-14,24-27,29-45H,3-8,15-20H2,1-2H3,(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)/p-13/t24-,25-,26-,27-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-/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 200n/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