BDBM50326018 (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyldiphosphoric acid::CHEMBL1242023

SMILES: OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O

InChI Key: InChIKey=UPHPWXPNZIOZJL-XCMZKKERSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50326018   

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
Cyclin-dependent protein kinase PHO85 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Competitive inhibition of Saccharomyces cerevisiae Pho80-Pho85-Pho81-MD catalyzed phosphorylation of Pho4 assessed as increase in substrate concentra...				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair
Phosphate system positive regulatory protein PHO81 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae Pho81-MD-MD dependent Pho80-Pho85 activity after 60 mins				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair
Cyclin-dependent protein kinase PHO85 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae Pho80-Pho85-Pho81-MD catalyzed phosphorylation of Pho4-site 6 peptide				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair
Phosphate system positive regulatory protein PHO81 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae Pho81-MD-dependent Pho80-Pho85 activity after 10 mins				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair
Phosphate system positive regulatory protein PHO81 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae Pho81-MD-MD dependent Pho80-Pho85 activity after 120 mins				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair
Phosphate system positive regulatory protein PHO81 (Saccharomyces cerevisiae)	BDBM50326018 ((1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonoox...) Show SMILES OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae Pho81-MD-dependent Pho80-Pho85 activity after 30 mins				Nat Chem Biol 4: 25-32 (2007) Article DOI: 10.1038/nchembio.2007.52 BindingDB Entry DOI: 10.7270/Q2BC3ZQN
					More data for this Ligand-Target Pair