BDBM50367052 CHEMBL605425

SMILES: CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=SYUPSKUCZSXXKI-PUXKXDTASA-N

Data: 3 KI

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 = 50367052   

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 isozymes M1/M2 (Rattus norvegicus)	BDBM50367052 (CHEMBL605425) Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H22N6O10P2/c1-2-3-15-13-18-7-10(14)16-5-17-11(7)19(13)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,2-4H2,1H3,(H,15,18)(H,25,26)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,12?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	9.00E+5	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 isozymes R/L (Rattus norvegicus)	BDBM50367052 (CHEMBL605425) Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H22N6O10P2/c1-2-3-15-13-18-7-10(14)16-5-17-11(7)19(13)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,2-4H2,1H3,(H,15,18)(H,25,26)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,12?/m1/s1	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 kidney pyruvate kinase (PK-L)				J Med Chem 25: 1184-8 (1983) BindingDB Entry DOI: 10.7270/Q21N81PW
					More data for this Ligand-Target Pair
Pyruvate kinase isozymes R/L (Rattus norvegicus)	BDBM50367052 (CHEMBL605425) Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H22N6O10P2/c1-2-3-15-13-18-7-10(14)16-5-17-11(7)19(13)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,2-4H2,1H3,(H,15,18)(H,25,26)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,12?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor				J Med Chem 25: 1184-8 (1983) BindingDB Entry DOI: 10.7270/Q21N81PW
					More data for this Ligand-Target Pair