Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50027511   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lactoperoxidase (Homo sapiens (Human))	BDBM50275890 (CHEMBL457523 | ethyl 2,3-dihydro-3-methyl-2-seleno...) Show SMILES CCOC(=O)n1ccn(C)[c]1=[Se] Show InChI InChI=1S/C7H10N2O2Se/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275889 (CHEMBL508102 | carbimazole) Show SMILES CCOC(=O)n1ccn(C)c1=S Show InChI InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275891 (CHEMBL444464 | methyl 3-methyl-2-thioxo-2,3-dihydr...) Show SMILES COC(=O)n1ccn(C)c1=S Show InChI InChI=1S/C6H8N2O2S/c1-7-3-4-8(5(7)11)6(9)10-2/h3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275895 (CHEMBL469530 | methyl 3-ethyl-2-thioxo-2,3-dihydro...) Show SMILES CCn1ccn(C(=O)OC)c1=S Show InChI InChI=1S/C7H10N2O2S/c1-3-8-4-5-9(6(8)12)7(10)11-2/h4-5H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275892 (CHEMBL507966 | methyl 3-methyl-2-selenoxo-2,3-dihy...) Show SMILES COC(=O)n1ccn(C)[c]1=[Se] Show InChI InChI=1S/C6H8N2O2Se/c1-7-3-4-8(5(7)11)6(9)10-2/h3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275893 (CHEMBL469529 | ethyl 3-ethyl-2-thioxo-2,3-dihydro-...) Show SMILES CCOC(=O)n1ccn(CC)c1=S Show InChI InChI=1S/C8H12N2O2S/c1-3-9-5-6-10(7(9)13)8(11)12-4-2/h5-6H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275894 (CHEMBL446332 | ethyl 3-ethyl-2-selenoxo-2,3-dihydr...) Show SMILES CCOC(=O)n1ccn(CC)[c]1=[Se] Show InChI InChI=1S/C8H12N2O2Se/c1-3-9-5-6-10(7(9)13)8(11)12-4-2/h5-6H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair
Lactoperoxidase (Homo sapiens (Human))	BDBM50275944 (CHEMBL459114 | methyl 3-ethyl-2-selenoxo-2,3-dihyd...) Show SMILES CCn1ccn(C(=O)OC)[c]1=[Se] Show InChI InChI=1S/C7H10N2O2Se/c1-3-8-4-5-9(6(8)12)7(10)11-2/h4-5H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of lactoperoxidase (unknown origin)-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC				J Med Chem 51: 7313-7 (2009) Article DOI: 10.1021/jm800894m BindingDB Entry DOI: 10.7270/Q2Z31ZGK
					More data for this Ligand-Target Pair