BDBM217354 2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyrimidine-5-carbohydroxamic acid (HX1)

SMILES: ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O

InChI Key: InChIKey=FNNKXGWDBVPDKY-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 4 hits for monomerid = 217354   

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
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	6.5	n/a
University of Otago Christchurch					Assay Description Assays were performed at 22 °C with 2 nM MPO and 10 μM hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM ta...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	15.8	n/a	n/a	n/a	5.0	n/a
University of Otago Christchurch					Assay Description Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactoperoxidase (LPO) (Bos taurus (Bovine))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Christchurch					Assay Description The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
Thyroid peroxidase (TPO) (Homo sapiens (Human))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Christchurch					Assay Description The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari ...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair