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BDBM50143026 (6-{benzyl[(cyclohexylcarbamoyl)methyl]carbamoyl}-3,4,5-tris(sulfonatooxy)oxan-2-yl) sulfate::CHEMBL309661::polysulfonated derivative

SMILES: [O-]S(=O)(=O)OC1OC(C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1

InChI Key: InChIKey=VZCSUUXQMMABSO-UHFFFAOYSA-J

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 = 50143026   
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
Fibroblast growth factor 1


(Homo sapiens (Human))
BDBM50143026
PNG
((6-{benzyl[(cyclohexylcarbamoyl)methyl]carbamoyl}-...)
Show SMILES [O-]S(=O)(=O)OC1OC(C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C21H30N2O19S4/c24-15(22-14-9-5-2-6-10-14)12-23(11-13-7-3-1-4-8-13)20(25)18-16(39-43(26,27)28)17(40-44(29,30)31)19(41-45(32,33)34)21(38-18)42-46(35,36)37/h1,3-4,7-8,14,16-19,21H,2,5-6,9-12H2,(H,22,24)(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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Article
PubMed
n/an/an/a 1.22E+5n/an/an/an/an/a



Progen Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity for human fibroblast growth factor 1 in surface plasmon resonance (SPR) assay


Bioorg Med Chem Lett 14: 2221-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.017
BindingDB Entry DOI: 10.7270/Q2M9084D
More data for this
Ligand-Target Pair
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50143026
PNG
((6-{benzyl[(cyclohexylcarbamoyl)methyl]carbamoyl}-...)
Show SMILES [O-]S(=O)(=O)OC1OC(C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C21H30N2O19S4/c24-15(22-14-9-5-2-6-10-14)12-23(11-13-7-3-1-4-8-13)20(25)18-16(39-43(26,27)28)17(40-44(29,30)31)19(41-45(32,33)34)21(38-18)42-46(35,36)37/h1,3-4,7-8,14,16-19,21H,2,5-6,9-12H2,(H,22,24)(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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PubMed
n/an/an/a 3.75E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 2


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Fibroblast growth factor 1


(Homo sapiens (Human))
BDBM50143026
PNG
((6-{benzyl[(cyclohexylcarbamoyl)methyl]carbamoyl}-...)
Show SMILES [O-]S(=O)(=O)OC1OC(C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C21H30N2O19S4/c24-15(22-14-9-5-2-6-10-14)12-23(11-13-7-3-1-4-8-13)20(25)18-16(39-43(26,27)28)17(40-44(29,30)31)19(41-45(32,33)34)21(38-18)42-46(35,36)37/h1,3-4,7-8,14,16-19,21H,2,5-6,9-12H2,(H,22,24)(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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Article
PubMed
n/an/an/a 1.20E+5n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Dissociation constant for Fibroblast growth factor 1


J Med Chem 47: 1683-93 (2004)


Article DOI: 10.1021/jm030447t
BindingDB Entry DOI: 10.7270/Q28W3F2G
More data for this
Ligand-Target Pair
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50143026
PNG
((6-{benzyl[(cyclohexylcarbamoyl)methyl]carbamoyl}-...)
Show SMILES [O-]S(=O)(=O)OC1OC(C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C21H30N2O19S4/c24-15(22-14-9-5-2-6-10-14)12-23(11-13-7-3-1-4-8-13)20(25)18-16(39-43(26,27)28)17(40-44(29,30)31)19(41-45(32,33)34)21(38-18)42-46(35,36)37/h1,3-4,7-8,14,16-19,21H,2,5-6,9-12H2,(H,22,24)(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.54E+5n/an/an/an/an/a



Progen Industries Ltd

Curated by ChEMBL


Assay Description
Binding affinity for human fibroblast growth factor 2 in surface plasmon resonance (SPR) assay


Bioorg Med Chem Lett 14: 2221-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.017
BindingDB Entry DOI: 10.7270/Q2M9084D
More data for this
Ligand-Target Pair