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BDBM50103242 CHEMBL316894::Naphthalene trisulfonate (NTS)::naphthalene-1,3,6-trisulfonate(3-)::trisodium naphthalene-1,3,6-trisulfonate

SMILES: [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O

InChI Key: InChIKey=ZPBSAMLXSQCSOX-UHFFFAOYSA-K

Data: 1 KI  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50103242   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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CHEMBL
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PC cid
PC sid
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PubMed
>4.00E+6n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


Citation and Details
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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Article
PubMed
n/an/an/a 2.23E+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)

More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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Article
PubMed
n/an/a 6.40E+6n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)

More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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Article
PubMed
n/an/an/a 4.74E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)