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)	Ligand	Target/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	pH	Temp °C
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50103242 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PubMed	>4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Fibroblast growth factor 2 (Homo sapiens (Human))	BDBM50103242 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.23E+5	n/a	n/a	n/a	n/a	n/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
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD) (Homo sapiens (Human))	BDBM50103242 (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	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.40E+6	n/a	n/a	n/a	n/a	n/a	25
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) Article DOI: 10.1186/s12858-015-0048-3 BindingDB Entry DOI: 10.7270/Q26972FW
					More data for this Ligand-Target Pair
Acidic fibroblast growth factor (Homo sapiens (Human))	BDBM50103242 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.74E+5	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)