Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphoglycerate mutase 1' and Ligand = 'BDBM50103572'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphoglycerate mutase 1 (Homo sapiens (Human))	BDBM50103572 (CHEMBL3335789) Show SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of PGM1 (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 24: 4915-25 (2014) Article DOI: 10.1016/j.bmcl.2014.09.041 BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoglycerate mutase 1 (Homo sapiens (Human))	BDBM50103572 (CHEMBL3335789) Show SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant PGAM1 (unknown origin) using 3-PG as substrate incubated for 2 mins in presence of ADP by microplate reader assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127820 BindingDB Entry DOI: 10.7270/Q2KW5KQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoglycerate mutase 1 (Homo sapiens (Human))	BDBM50103572 (CHEMBL3335789) Show SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of PGM1 (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 24: 4915-25 (2014) Article DOI: 10.1016/j.bmcl.2014.09.041 BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoglycerate mutase 1 (Homo sapiens (Human))	BDBM50103572 (CHEMBL3335789) Show SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PGAM1 using 3-PG as substrate by fluorescence based assay				Bioorg Med Chem 26: 1961-1970 (2018) Article DOI: 10.1016/j.bmc.2018.02.044 BindingDB Entry DOI: 10.7270/Q2VH5RH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoglycerate mutase 1 (Homo sapiens (Human))	BDBM50103572 (CHEMBL3335789) Show SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PGAM1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127820 BindingDB Entry DOI: 10.7270/Q2KW5KQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)