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BDBM50307395 12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Tetra-O-sulfor-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-sulfor-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranoside,HexadecasodiumSalt::CHEMBL590013

SMILES: [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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=ZMQXKELQMWICHL-NPCAVFQHSA-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 = 50307395   
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))
BDBM50307395
PNG
(12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Te...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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/C50H81N3O74S16/c54-128(55,56)103-19-26-31(117-133(69,70)71)36(113-48-43(125-141(93,94)95)37(32(118-134(72,73)74)27(110-48)20-104-129(57,58)59)115-50-45(127-143(99,100)101)40(123-139(87,88)89)35(121-137(81,82)83)30(112-50)23-107-132(66,67)68)42(124-140(90,91)92)47(109-26)114-38-33(119-135(75,76)77)28(21-105-130(60,61)62)111-49(44(38)126-142(96,97)98)116-41-39(122-138(84,85)86)34(120-136(78,79)80)29(22-106-131(63,64)65)108-46(41)102-17-13-8-6-4-2-1-3-5-7-12-16-53-18-25(51-52-53)24-14-10-9-11-15-24/h9-11,14-15,18,26-50H,1-8,12-13,16-17,19-23H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/p-16/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 270n/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))
BDBM50307395
PNG
(12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Te...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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/C50H81N3O74S16/c54-128(55,56)103-19-26-31(117-133(69,70)71)36(113-48-43(125-141(93,94)95)37(32(118-134(72,73)74)27(110-48)20-104-129(57,58)59)115-50-45(127-143(99,100)101)40(123-139(87,88)89)35(121-137(81,82)83)30(112-50)23-107-132(66,67)68)42(124-140(90,91)92)47(109-26)114-38-33(119-135(75,76)77)28(21-105-130(60,61)62)111-49(44(38)126-142(96,97)98)116-41-39(122-138(84,85)86)34(120-136(78,79)80)29(22-106-131(63,64)65)108-46(41)102-17-13-8-6-4-2-1-3-5-7-12-16-53-18-25(51-52-53)24-14-10-9-11-15-24/h9-11,14-15,18,26-50H,1-8,12-13,16-17,19-23H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/p-16/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/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 5.10n/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))
BDBM50307395
PNG
(12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Te...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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/C50H81N3O74S16/c54-128(55,56)103-19-26-31(117-133(69,70)71)36(113-48-43(125-141(93,94)95)37(32(118-134(72,73)74)27(110-48)20-104-129(57,58)59)115-50-45(127-143(99,100)101)40(123-139(87,88)89)35(121-137(81,82)83)30(112-50)23-107-132(66,67)68)42(124-140(90,91)92)47(109-26)114-38-33(119-135(75,76)77)28(21-105-130(60,61)62)111-49(44(38)126-142(96,97)98)116-41-39(122-138(84,85)86)34(120-136(78,79)80)29(22-106-131(63,64)65)108-46(41)102-17-13-8-6-4-2-1-3-5-7-12-16-53-18-25(51-52-53)24-14-10-9-11-15-24/h9-11,14-15,18,26-50H,1-8,12-13,16-17,19-23H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/p-16/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/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 253n/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))
BDBM50307395
PNG
(12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Te...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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/C50H81N3O74S16/c54-128(55,56)103-19-26-31(117-133(69,70)71)36(113-48-43(125-141(93,94)95)37(32(118-134(72,73)74)27(110-48)20-104-129(57,58)59)115-50-45(127-143(99,100)101)40(123-139(87,88)89)35(121-137(81,82)83)30(112-50)23-107-132(66,67)68)42(124-140(90,91)92)47(109-26)114-38-33(119-135(75,76)77)28(21-105-130(60,61)62)111-49(44(38)126-142(96,97)98)116-41-39(122-138(84,85)86)34(120-136(78,79)80)29(22-106-131(63,64)65)108-46(41)102-17-13-8-6-4-2-1-3-5-7-12-16-53-18-25(51-52-53)24-14-10-9-11-15-24/h9-11,14-15,18,26-50H,1-8,12-13,16-17,19-23H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/p-16/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-/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 2.30E+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