BDBM50103572 CHEMBL3335789

SMILES: Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XKVNBCMGEUDKNP-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 = 50103572   

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
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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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) 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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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) BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair				3D Structure (crystal)