BDBM50304360 BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]::CHEMBL595349::benzene-1,2,3,4-tetrayl tetrakis(hydrogen phosphate)

SMILES: OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O

InChI Key: InChIKey=UKRGHRHHBNLNDD-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50304360   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50304360 (BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSP...) Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas Curated by ChEMBL					Assay Description Inhibition of pleckstrin homology domain of AKT by surface plasmon resonance spectroscopy				Bioorg Med Chem 17: 6983-92 (2009) Article DOI: 10.1016/j.bmc.2009.08.022 BindingDB Entry DOI: 10.7270/Q2513Z8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) (Homo sapiens (Human))	BDBM50304360 (BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSP...) Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Displacement of 2FAMInsP5 from recombinant human N-terminal His-tagged SHIP2 (419 to 832 residues) expressed in Escherichia coli Rosetta2 (DE3) cells...				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368
					More data for this Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase (Homo sapiens (Human))	BDBM50304360 (BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSP...) Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368
					More data for this Ligand-Target Pair