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BDBM50421307 CHEMBL2087901

SMILES: CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1

InChI Key: InChIKey=OCVXTLJWKKIMGR-DXFIHEEPSA-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 = 50421307   
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
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50421307
PNG
(CHEMBL2087901)
Show SMILES CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H26N2O16S3/c1-3-20(17(22)11-7-5-4-6-8-11)10-13(21)19-9-12-14(34-37(23,24)25)15(35-38(26,27)28)16(18(32-2)33-12)36-39(29,30)31/h4-8,12,14-16,18H,3,9-10H2,1-2H3,(H,19,21)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-3/t12-,14-,15+,16+,18+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 3.66E+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
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50421307
PNG
(CHEMBL2087901)
Show SMILES CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H26N2O16S3/c1-3-20(17(22)11-7-5-4-6-8-11)10-13(21)19-9-12-14(34-37(23,24)25)15(35-38(26,27)28)16(18(32-2)33-12)36-39(29,30)31/h4-8,12,14-16,18H,3,9-10H2,1-2H3,(H,19,21)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-3/t12-,14-,15+,16+,18+/m1/s1
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UniChem

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Article
PubMed
n/an/an/a 1.10E+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
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50421307
PNG
(CHEMBL2087901)
Show SMILES CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H26N2O16S3/c1-3-20(17(22)11-7-5-4-6-8-11)10-13(21)19-9-12-14(34-37(23,24)25)15(35-38(26,27)28)16(18(32-2)33-12)36-39(29,30)31/h4-8,12,14-16,18H,3,9-10H2,1-2H3,(H,19,21)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-3/t12-,14-,15+,16+,18+/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 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