Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'mathieu' and Initial = 'v'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50434372 (CHEMBL2386889) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Texas State University-San Marcos Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using CDC25C and ATP as substrate a...				J Med Chem 56: 4823-39 (2013) Article DOI: 10.1021/jm400136m BindingDB Entry DOI: 10.7270/Q2D2200S
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238843 (CHEMBL4068067) Show SMILES ONC(=O)c1c[nH]c(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1=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 CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50332590 (5-(5-fluoro-1H-indol-3-yl)pentan-1-amine | CHEMBL1...) Show SMILES NCCCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C13H17FN2/c14-11-5-6-13-12(8-11)10(9-16-13)4-2-1-3-7-15/h5-6,8-9,16H,1-4,7,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50332589 (4-(5-fluoro-1H-indol-3-yl)butan-1-amine | CHEMBL16...) Show SMILES NCCCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3,6,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432565 (CHEMBL2347181) Show SMILES NC(=O)CCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H13FN2O/c13-9-4-5-11-10(6-9)8(7-15-11)2-1-3-12(14)16/h4-7,15H,1-3H2,(H2,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM217355 (4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...) Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238832 (CHEMBL4080413) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2cc(F)ccc12 Show InChI InChI=1S/C10H10FN5/c1-5-7-3-2-6(11)4-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238837 (CHEMBL581893 | GNF-Pf-3346) Show SMILES COc1ccc2c(C)nc(NC(N)=N)nc2c1 Show InChI InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238827 (CHEMBL4064328) Show SMILES Fc1ccc2[nH]c(nc2c1)[C@@H]1CCN(CC2NC=CN2)C1 |r,c:19| Show InChI InChI=1S/C15H18FN5/c16-11-1-2-12-13(7-11)20-15(19-12)10-3-6-21(8-10)9-14-17-4-5-18-14/h1-2,4-5,7,10,14,17-18H,3,6,8-9H2,(H,19,20)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50035203 (CHEMBL3343353) Show SMILES C1Cn2nc3cc4OCOc4cc3c2S1 Show InChI InChI=1S/C10H8N2O2S/c1-2-15-10-6-3-8-9(14-5-13-8)4-7(6)11-12(1)10/h3-4H,1-2,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238837 (CHEMBL581893 | GNF-Pf-3346) Show SMILES COc1ccc2c(C)nc(NC(N)=N)nc2c1 Show InChI InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238829 (CHEMBL4098436) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2cc(Cl)ccc12 Show InChI InChI=1S/C10H10ClN5/c1-5-7-3-2-6(11)4-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238830 (CHEMBL4069712) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2cc(Br)ccc12 Show InChI InChI=1S/C10H10BrN5/c1-5-7-3-2-6(11)4-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238827 (CHEMBL4064328) Show SMILES Fc1ccc2[nH]c(nc2c1)[C@@H]1CCN(CC2NC=CN2)C1 |r,c:19| Show InChI InChI=1S/C15H18FN5/c16-11-1-2-12-13(7-11)20-15(19-12)10-3-6-21(8-10)9-14-17-4-5-18-14/h1-2,4-5,7,10,14,17-18H,3,6,8-9H2,(H,19,20)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238841 (CHEMBL4098162) Show SMILES CC(C)NCC(=O)c1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C12H14FN3O/c1-7(2)14-6-11(17)12-15-9-4-3-8(13)5-10(9)16-12/h3-5,7,14H,6H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238842 (CHEMBL4090447) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2ccc(F)cc12 Show InChI InChI=1S/C10H10FN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238831 (CHEMBL251689) Show SMILES COc1cc(N[C@H](C)CCCN)c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238840 (CHEMBL4089529) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2ccc(Cl)cc12 Show InChI InChI=1S/C10H10ClN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238835 (CHEMBL4076541) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2ccc(Br)cc12 Show InChI InChI=1S/C10H10BrN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	756	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50238831 (CHEMBL251689) Show SMILES COc1cc(N[C@H](C)CCCN)c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM93094 (2-Guanidino-4-methylguinazoline) Show SMILES Cc1nc(NC(N)=N)nc2ccccc12 Show InChI InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM81461 (CAS_86-54-4 | Hydralazine | Hydralazine (HZN) | NS...) Show SMILES NNc1nncc2ccccc12 Show InChI InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM81461 (CAS_86-54-4 | Hydralazine | Hydralazine (HZN) | NS...) Show SMILES NNc1nncc2ccccc12 Show InChI InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238825 (CHEMBL4098081) Show SMILES Fc1ccc2oc(nc2c1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C11H11FN2O/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM81461 (CAS_86-54-4 | Hydralazine | Hydralazine (HZN) | NS...) Show SMILES NNc1nncc2ccccc12 Show InChI InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50216689 (2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50238837 (CHEMBL581893 | GNF-Pf-3346) Show SMILES COc1ccc2c(C)nc(NC(N)=N)nc2c1 Show InChI InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50238832 (CHEMBL4080413) Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2cc(F)ccc12 Show InChI InChI=1S/C10H10FN5/c1-5-7-3-2-6(11)4-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238828 (CHEMBL4072361) Show SMILES O[C@@H]1CN[C@@H](C1)c1nc(Cc2ccc(F)cc2Cl)no1 |r| Show InChI InChI=1S/C13H13ClFN3O2/c14-10-4-8(15)2-1-7(10)3-12-17-13(20-18-12)11-5-9(19)6-16-11/h1-2,4,9,11,16,19H,3,5-6H2/t9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238836 (CHEMBL4091272) Show SMILES C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r| Show InChI InChI=1S/C18H20FN3O3/c1-10-8-21(5-4-20-10)16-7-15-12(6-14(16)19)17(23)13(18(24)25)9-22(15)11-2-3-11/h6-7,9-11,20H,2-5,8H2,1H3,(H,24,25)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238826 (CHEMBL1357558) Show SMILES CSc1ccc2Sc3ccccc3N(CC[C@H]3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50396177 (NIFUROXAZIDE) Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50238833 (CHEMBL1406871) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c12 Show InChI InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b...				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50238841 (CHEMBL4098162) Show SMILES CC(C)NCC(=O)c1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C12H14FN3O/c1-7(2)14-6-11(17)12-15-9-4-3-8(13)5-10(9)16-12/h3-5,7,14H,6H2,1-2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM50238827 (CHEMBL4064328) Show SMILES Fc1ccc2[nH]c(nc2c1)[C@@H]1CCN(CC2NC=CN2)C1 |r,c:19| Show InChI InChI=1S/C15H18FN5/c16-11-1-2-12-13(7-11)20-15(19-12)10-3-6-21(8-10)9-14-17-4-5-18-14/h1-2,4-5,7,10,14,17-18H,3,6,8-9H2,(H,19,20)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50077323 (7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair
Lactoperoxidase (Bos taurus (Bovine))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins				J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7
					More data for this Ligand-Target Pair

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