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BDBM84564 Linked sulfated tetracyclitol, 5

SMILES: [O-]S(=O)(=O)O[C@@H]1C=C[C@@H]([C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)N(CCCCCN([C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=RKZKCPOLSQOWLY-VVPPVNHKSA-B

Data: 2 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 2 hits for monomerid = 84564   
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))
BDBM84564
PNG
(Linked sulfated tetracyclitol, 5)
Show SMILES [O-]S(=O)(=O)O[C@@H]1C=C[C@@H]([C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)N(CCCCCN([C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r,c:6,30,52,74|
Show InChI InChI=1S/C29H46N2O48S12/c32-80(33,34)68-18-8-4-14(22(72-84(44,45)46)26(18)76-88(56,57)58)30(15-5-9-19(69-81(35,36)37)27(77-89(59,60)61)23(15)73-85(47,48)49)12-2-1-3-13-31(16-6-10-20(70-82(38,39)40)28(78-90(62,63)64)24(16)74-86(50,51)52)17-7-11-21(71-83(41,42)43)29(79-91(65,66)67)25(17)75-87(53,54)55/h4-11,14-29H,1-3,12-13H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/p-12/t14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 148n/an/an/a7.4n/a



Progen Industries Ltd.



Assay Description
Human FGF-1 and FGF-2 were purchased from R&D Systems, Inc. and supplied as protein (ug) dissolved in bovine serum albumin (BSA, 50ug). Surface plas...


Chembiochem 6: 1882-90 (2005)

Checked by Author
Article DOI: 10.1002/cbic.200500089
BindingDB Entry DOI: 10.7270/Q22N50S0
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM84564
PNG
(Linked sulfated tetracyclitol, 5)
Show SMILES [O-]S(=O)(=O)O[C@@H]1C=C[C@@H]([C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)N(CCCCCN([C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)[C@H]1C=C[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r,c:6,30,52,74|
Show InChI InChI=1S/C29H46N2O48S12/c32-80(33,34)68-18-8-4-14(22(72-84(44,45)46)26(18)76-88(56,57)58)30(15-5-9-19(69-81(35,36)37)27(77-89(59,60)61)23(15)73-85(47,48)49)12-2-1-3-13-31(16-6-10-20(70-82(38,39)40)28(78-90(62,63)64)24(16)74-86(50,51)52)17-7-11-21(71-83(41,42)43)29(79-91(65,66)67)25(17)75-87(53,54)55/h4-11,14-29H,1-3,12-13H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/p-12/t14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 29.8n/an/an/a7.4n/a



Progen Industries Ltd.



Assay Description
Human FGF-1 and FGF-2 were purchased from R&D Systems, Inc. and supplied as protein (ug) dissolved in bovine serum albumin (BSA, 50ug). Surface plas...


Chembiochem 6: 1882-90 (2005)

Checked by Author
Article DOI: 10.1002/cbic.200500089
BindingDB Entry DOI: 10.7270/Q22N50S0
More data for this
Ligand-Target Pair