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BDBM50307396 12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)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-Dmannopyranoside,Hexadecasodium Salt::CHEMBL604570

SMILES: [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[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](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=IFJPUFGQBDHFEF-LOKZQOBESA-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 = 50307396   
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))		BDBM50307396
PNG
(12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)dodecyl 2...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[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](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C54H83N3O74S16/c58-132(59,60)107-21-30-35(121-137(73,74)75)40(117-52-47(129-145(97,98)99)41(36(122-138(76,77)78)31(114-52)22-108-133(61,62)63)119-54-49(131-147(103,104)105)44(127-143(91,92)93)39(125-141(85,86)87)34(116-54)25-111-136(70,71)72)46(128-144(94,95)96)51(113-30)118-42-37(123-139(79,80)81)32(23-109-134(64,65)66)115-53(48(42)130-146(100,101)102)120-45-43(126-142(88,89)90)38(124-140(82,83)84)33(24-110-135(67,68)69)112-50(45)106-19-12-8-6-4-2-1-3-5-7-11-18-57-20-29(55-56-57)28-17-13-15-26-14-9-10-16-27(26)28/h9-10,13-17,20,30-54H,1-8,11-12,18-19,21-25H2,(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)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/p-16/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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KEGG
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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))		BDBM50307396
PNG
(12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)dodecyl 2...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[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](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C54H83N3O74S16/c58-132(59,60)107-21-30-35(121-137(73,74)75)40(117-52-47(129-145(97,98)99)41(36(122-138(76,77)78)31(114-52)22-108-133(61,62)63)119-54-49(131-147(103,104)105)44(127-143(91,92)93)39(125-141(85,86)87)34(116-54)25-111-136(70,71)72)46(128-144(94,95)96)51(113-30)118-42-37(123-139(79,80)81)32(23-109-134(64,65)66)115-53(48(42)130-146(100,101)102)120-45-43(126-142(88,89)90)38(124-140(82,83)84)33(24-110-135(67,68)69)112-50(45)106-19-12-8-6-4-2-1-3-5-7-11-18-57-20-29(55-56-57)28-17-13-15-26-14-9-10-16-27(26)28/h9-10,13-17,20,30-54H,1-8,11-12,18-19,21-25H2,(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)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/p-16/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

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Article
PubMed
n/an/an/a 0.790n/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))		BDBM50307396
PNG
(12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)dodecyl 2...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[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](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C54H83N3O74S16/c58-132(59,60)107-21-30-35(121-137(73,74)75)40(117-52-47(129-145(97,98)99)41(36(122-138(76,77)78)31(114-52)22-108-133(61,62)63)119-54-49(131-147(103,104)105)44(127-143(91,92)93)39(125-141(85,86)87)34(116-54)25-111-136(70,71)72)46(128-144(94,95)96)51(113-30)118-42-37(123-139(79,80)81)32(23-109-134(64,65)66)115-53(48(42)130-146(100,101)102)120-45-43(126-142(88,89)90)38(124-140(82,83)84)33(24-110-135(67,68)69)112-50(45)106-19-12-8-6-4-2-1-3-5-7-11-18-57-20-29(55-56-57)28-17-13-15-26-14-9-10-16-27(26)28/h9-10,13-17,20,30-54H,1-8,11-12,18-19,21-25H2,(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)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/p-16/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/a 73n/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))		BDBM50307396
PNG
(12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)dodecyl 2...)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[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](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C54H83N3O74S16/c58-132(59,60)107-21-30-35(121-137(73,74)75)40(117-52-47(129-145(97,98)99)41(36(122-138(76,77)78)31(114-52)22-108-133(61,62)63)119-54-49(131-147(103,104)105)44(127-143(91,92)93)39(125-141(85,86)87)34(116-54)25-111-136(70,71)72)46(128-144(94,95)96)51(113-30)118-42-37(123-139(79,80)81)32(23-109-134(64,65)66)115-53(48(42)130-146(100,101)102)120-45-43(126-142(88,89)90)38(124-140(82,83)84)33(24-110-135(67,68)69)112-50(45)106-19-12-8-6-4-2-1-3-5-7-11-18-57-20-29(55-56-57)28-17-13-15-26-14-9-10-16-27(26)28/h9-10,13-17,20,30-54H,1-8,11-12,18-19,21-25H2,(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)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/p-16/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-/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 190n/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