Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sepiapterin reductase' and Ligand = 'BDBM187258'   

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
Sepiapterin reductase (Homo sapiens (Human))	BDBM187258 (US9169234, 23) Show SMILES COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	6.5	37
Children's Medical Center Corporation US Patent					Assay Description To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the produc...				US Patent US9169234 (2015) BindingDB Entry DOI: 10.7270/Q20Z7233
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sepiapterin reductase (Homo sapiens (Human))	BDBM187258 (US9169234, 23) Show SMILES COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	6.5	37
Children's Medical Center Corporation US Patent					Assay Description To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the product ...				US Patent US9169234 (2015) BindingDB Entry DOI: 10.7270/Q20Z7233
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sepiapterin reductase (Homo sapiens (Human))	BDBM187258 (US9169234, 23) Show SMILES COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Gr�nenthal GmbH Curated by ChEMBL					Assay Description Inhibition of TNAS binding to human sepiapterin reductase by 19F-NMR spectra analysis				J Med Chem 62: 6391-6397 (2019) Article DOI: 10.1021/acs.jmedchem.9b00218 BindingDB Entry DOI: 10.7270/Q2JW8J6W
					More data for this Ligand-Target Pair				3D Structure (crystal)