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BDBM50421297 CHEMBL2087893

SMILES: CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=CXQBZUYXWNVZMQ-HMWDHGCWSA-K

Data: 3 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 3 hits for monomerid = 50421297   
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 2


(Homo sapiens (Human))
BDBM50421297
PNG
(CHEMBL2087893)
Show SMILES CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C23H42N2O16S3/c1-16(26)25(17-12-10-8-6-4-3-5-7-9-11-13-17)15-19(27)24-14-18-20(39-42(28,29)30)21(40-43(31,32)33)22(23(37-2)38-18)41-44(34,35)36/h17-18,20-23H,3-15H2,1-2H3,(H,24,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-3/t18-,20-,21+,22+,23+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/a 4.80E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50421297
PNG
(CHEMBL2087893)
Show SMILES CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C23H42N2O16S3/c1-16(26)25(17-12-10-8-6-4-3-5-7-9-11-13-17)15-19(27)24-14-18-20(39-42(28,29)30)21(40-43(31,32)33)22(23(37-2)38-18)41-44(34,35)36/h17-18,20-23H,3-15H2,1-2H3,(H,24,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-3/t18-,20-,21+,22+,23+/m1/s1
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Article
PubMed
n/an/an/a 1.20E+6n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421297
PNG
(CHEMBL2087893)
Show SMILES CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C23H42N2O16S3/c1-16(26)25(17-12-10-8-6-4-3-5-7-9-11-13-17)15-19(27)24-14-18-20(39-42(28,29)30)21(40-43(31,32)33)22(23(37-2)38-18)41-44(34,35)36/h17-18,20-23H,3-15H2,1-2H3,(H,24,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-3/t18-,20-,21+,22+,23+/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 2.65E+5n/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 6190-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.001
BindingDB Entry DOI: 10.7270/Q2QR4ZD6
More data for this
Ligand-Target Pair