BDBM209924 PKUMDL-WQ-2101::US10722489, Compound PKUMDL-WL-2101

SMILES: Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1

InChI Key: InChIKey=OXONIXZPWKJHMW-VIZOYTHASA-N

Data: 6 IC50

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 6 hits for monomerid = 209924   

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 dehydrogenase (PHGDH) (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+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
Phosphoglycerate dehydrogenase N-terminal fragment (PHGDH fragment) (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+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))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University US Patent					Assay Description The activity of recombinant PHGDH was measured by monitoring the reduced nicotinamideadenine dinucleotide (NADH) to nicotinamideadenine dinucleotide ...				US Patent US10722489 (2020)
					More data for this Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH) (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	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 (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin)				Bioorg Med Chem 26: 1727-1739 (2018) Article DOI: 10.1016/j.bmc.2018.02.016 BindingDB Entry DOI: 10.7270/Q2542R3R
					More data for this Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH) (Homo sapiens (Human))	BDBM209924 (PKUMDL-WQ-2101 | US10722489, Compound PKUMDL-WL-21...) Show SMILES Oc1ccc(C(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)c(O)c1 Show InChI InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.49E+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