null

SMILES: CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1

InChI Key: InChIKey=XPACBFAEZIPDRT-LSCVHKIXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 209925   

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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209925 (PKUMDL-WQ-2201) Show SMILES CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1 Show InChI InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	7.1	n/a
Peking University					Assay Description To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...				Cell Chem Biol 24: 55-65 (2017) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM209925 (PKUMDL-WQ-2201) Show SMILES CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1 Show InChI InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.69E+4	n/a	n/a	n/a	7.4	n/a
Peking University					Assay Description The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on ...				Cell Chem Biol 24: 55-65 (2017) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase [3-314] (Homo sapiens (Human))	BDBM209925 (PKUMDL-WQ-2201) Show SMILES CCNC(=S)N\N=C/c1ccc(o1)-c1ccc(C(O)=O)c(Cl)c1 Show InChI InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	7.1	n/a
Peking University					Assay Description To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7...				Cell Chem Biol 24: 55-65 (2017) Article DOI: 10.1016/j.chembiol.2016.11.013 BindingDB Entry DOI: 10.7270/Q2X63KR3
					More data for this Ligand-Target Pair