BDBM50507390 CHEMBL4482878::US10981879, Example 3

SMILES: Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1

InChI Key: InChIKey=JMLWUWYLBNAXLU-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50507390   

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 (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human PMN leukocytes MPO chlorination activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured ...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human LPO assessed as reduction in H2O2 catalyzed 3,5-iodo tyrosine formation from 3-iodotyrosine and potassium iodide preincubated for...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308
					More data for this Ligand-Target Pair
Eosinophil peroxidase (Human)	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human EPX bromination activity assessed as reduction in H2O2 catalyzed 3-bromo tyrosine formation from tyrosine and potassium bromide p...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog #A12222) which ...				US Patent US10981879 (2021)
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human PMN leukocytes MPO peroxidation activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured ...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catal...				US Patent US10981879 (2021)
					More data for this Ligand-Target Pair
Thyroid peroxidase (TPO) (Homo sapiens (Human))	BDBM50507390 (CHEMBL4482878 | US10981879, Example 3) Show SMILES Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5S/c13-8-4-2-1-3-7(8)6-19-9-5-10(14)15-12-11(9)16-18-17-12/h1-5H,6H2,(H3,14,15,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human TPO assessed as reduction in H2O2 catalyzed 3,5-iodo tyrosine formation from 3-iodotyrosine and potassium iodide preincubated for...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308
					More data for this Ligand-Target Pair