null

SMILES: CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12

InChI Key: InChIKey=XTIAGIIIQPMYCG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028624   

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
Pyruvate kinase PKM (Rattus norvegicus)	BDBM50028624 (CHEMBL3142978 | [6-(6-amino-9H-purin-9-yl)-2-methy...) Show SMILES CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O10P2/c1-5-24-8-6(2-23-29(21,22)27-28(18,19)20)26-12(9(8)25-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat muscle pyruvate kinase (PK-M)				J Med Chem 25: 1184-8 (1983) BindingDB Entry DOI: 10.7270/Q21N81PW
					More data for this Ligand-Target Pair
Pyruvate kinase PKLR (Rattus norvegicus)	BDBM50028624 (CHEMBL3142978 | [6-(6-amino-9H-purin-9-yl)-2-methy...) Show SMILES CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O10P2/c1-5-24-8-6(2-23-29(21,22)27-28(18,19)20)26-12(9(8)25-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver pyruvate kinase (PK-L) at 3.6 mM				J Med Chem 25: 1184-8 (1983) BindingDB Entry DOI: 10.7270/Q21N81PW
					More data for this Ligand-Target Pair
Pyruvate kinase PKLR (Rattus norvegicus)	BDBM50028624 (CHEMBL3142978 | [6-(6-amino-9H-purin-9-yl)-2-methy...) Show SMILES CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O10P2/c1-5-24-8-6(2-23-29(21,22)27-28(18,19)20)26-12(9(8)25-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver pyruvate kinase (PK-L); (relative inhibitory potency)				J Med Chem 25: 1184-8 (1983) BindingDB Entry DOI: 10.7270/Q21N81PW
					More data for this Ligand-Target Pair