Compile Data Set for Download or QSAR

Found 1008 hits of ic50 data for polymerid = 5152   

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
Myeloperoxidase (Homo sapiens (Human))	BDBM50554035 (CHEMBL4790231) Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50554034 (CHEMBL4747269) Show SMILES Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50554035 (CHEMBL4790231) Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554052 (CHEMBL4763667) Show SMILES Nc1cc([C@H](CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r,wU:4.4,11.14,wD:8.7,(28.35,-39.89,;29.68,-39.12,;29.69,-37.58,;31.01,-36.8,;31,-35.26,;32.34,-34.49,;33.67,-35.25,;35.01,-34.48,;36.35,-35.25,;36.34,-36.78,;37.67,-37.55,;39.01,-36.78,;39.01,-35.24,;37.67,-34.47,;40.33,-37.55,;40.33,-39.1,;41.66,-39.87,;43,-39.1,;43,-37.55,;41.66,-36.78,;29.67,-34.5,;29.67,-32.96,;28.34,-32.19,;27,-32.97,;27.01,-34.52,;28.35,-35.27,;32.35,-37.57,;33.81,-37.09,;34.72,-38.34,;33.81,-39.59,;32.35,-39.11,;31.01,-39.89,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50554050 (CHEMBL4752248) Show SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)c3ccccc23)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432573 (CHEMBL2347170) Show SMILES NCCSCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50595667 (CHEMBL5181350) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432575 (CHEMBL2347168) Show SMILES NCCSCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507392 (CHEMBL4548537 | US10981879, Example 11) Show SMILES Nc1cc(SCc2c(Cl)cccc2Cl)c2nn[nH]c2n1 Show InChI InChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	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 BindingDB Entry DOI: 10.7270/Q2W0997Z
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM434866 (7-[(3R,4S,6S,10R)-4-Benzyl-2-oxa-7,13,14-triazatet...) Show SMILES Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50595661 (CHEMBL5197968) Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50595661 (CHEMBL5197968) Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50554057 (CHEMBL4740830) Show SMILES Nc1cc([C@H](CCN(CCF)C23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432568 (CHEMBL2347177) Show SMILES Fc1ccc2[nH]cc(CCCSC#N)c2c1 Show InChI InChI=1S/C12H11FN2S/c13-10-3-4-12-11(6-10)9(7-15-12)2-1-5-16-8-14/h3-4,6-7,15H,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	5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					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))	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
Universite£? Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system				J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ
					More data for this Ligand-Target Pair
Myeloperoxidase (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 (Homo sapiens (Human))	BDBM50554056 (CHEMBL4782307) Show SMILES CN(CC[C@H](c1ccccc1)c1cc(N)nc2[nH]nnc12)C12CCC(CC1)(CC2)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432573 (CHEMBL2347170) Show SMILES NCCSCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432580 (CHEMBL2347032) Show SMILES NCCCCc1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507396 (CHEMBL4453728) Show SMILES Nc1cc(OCc2c(Cl)cccc2Cl)c2nn[nH]c2n1 Show InChI InChI=1S/C12H9Cl2N5O/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	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 BindingDB Entry DOI: 10.7270/Q2W0997Z
					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	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 BindingDB Entry DOI: 10.7270/Q2W0997Z
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM434867 (7-[(17S)-18-Phenyl-16-oxa-2,8,9-triazapentacyclo[1...) Show SMILES Nc1cc(C2CCNC34CCC(CC3)([C@H](C4)Oc3cccc(Cn4cc2cn4)c3)c2ccccc2)c2nn[nH]c2n1 |r,wD:14.15,(-2.43,-8.47,;-1.1,-7.7,;-1.1,-6.16,;.24,-5.39,;.24,-3.85,;1.57,-3.08,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;4.24,3.08,;2.9,3.85,;3.67,2.52,;2.13,2.1,;1.57,3.08,;1.57,1.54,;.28,3.46,;-1.26,3.46,;-2.35,4.55,;-3.84,4.15,;-4.24,2.66,;-3.15,1.57,;-3.55,.08,;-2.9,-1.31,;-1.38,-1.6,;-1.19,-3.13,;-2.59,-3.78,;-3.64,-2.66,;-1.66,1.97,;2.9,5.39,;1.57,6.16,;1.57,7.7,;2.9,8.47,;4.24,7.7,;4.24,6.16,;1.57,-6.16,;3.04,-5.68,;3.94,-6.93,;3.04,-8.18,;1.57,-7.7,;.24,-8.47,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM492844 (7-(((5-chloro-3-methyl-1- phenyl-1H-pyrazol-4- yl)...) Show SMILES Cc1nn(c(Cl)c1CSc1cc(N)nc2[nH]nnc12)-c1ccccc1 Show InChI InChI=1S/C16H14ClN7S/c1-9-11(15(17)24(22-9)10-5-3-2-4-6-10)8-25-12-7-13(18)19-16-14(12)20-23-21-16/h2-7H,8H2,1H3,(H3,18,19,20,21,23)	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 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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	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
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	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
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	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
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM434851 (7-{17-Oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...) Show SMILES Nc1cc(C2CCNCc3cccc(OCc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM413387 (US10407422, Example 130) Show SMILES Nc1cc(Cc2cnn(Cc3ccc4CNCCc4c3)c2)c2nn[nH]c2n1 Show InChI InChI=1S/C19H20N8/c20-17-7-16(18-19(23-17)25-26-24-18)6-13-8-22-27(11-13)10-12-1-2-15-9-21-4-3-14(15)5-12/h1-2,5,7-8,11,21H,3-4,6,9-10H2,(H3,20,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...				US Patent US10407422 (2019) BindingDB Entry DOI: 10.7270/Q28G8P24
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50432575 (CHEMBL2347168) Show SMILES NCCSCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA				J Med Chem 56: 3943-58 (2013) Article DOI: 10.1021/jm4001538 BindingDB Entry DOI: 10.7270/Q21C1Z7T
					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	8	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method				J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ
					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))	BDBM50507391 (CHEMBL4594116 | US10981879, Example 153) Show SMILES Nc1cc(SCc2nn(nc2C(F)F)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C15H12F2N8S/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	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 BindingDB Entry DOI: 10.7270/Q2W0997Z
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					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 BindingDB Entry DOI: 10.7270/Q2W0997Z
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM492845 (3-(((5-amino-3H-[1,2,3] triazolo[4,5-b]pyridin-7- ...) Show SMILES Nc1cc(SCc2cc(ccc2C2CC2)C#N)c2nn[nH]c2n1 Show InChI InChI=1S/C16H14N6S/c17-7-9-1-4-12(10-2-3-10)11(5-9)8-23-13-6-14(18)19-16-15(13)20-22-21-16/h1,4-6,10H,2-3,8H2,(H3,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50554054 (CHEMBL4751166) Show SMILES Nc1cc(C(CCNC23CCC(CC2)(OC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |(4.37,-54.45,;5.71,-53.68,;5.71,-52.14,;7.04,-51.36,;7.04,-49.82,;8.37,-49.05,;9.71,-49.81,;11.04,-49.04,;12.38,-49.81,;12.38,-51.34,;13.7,-52.11,;15.05,-51.34,;13.82,-51.06,;13.7,-50.02,;15.04,-49.8,;13.7,-49.02,;16.37,-52.11,;16.37,-53.66,;17.71,-54.43,;19.04,-53.66,;19.04,-52.11,;17.71,-51.34,;5.7,-49.06,;5.7,-47.52,;4.36,-46.75,;3.03,-47.52,;3.04,-49.07,;4.38,-49.83,;8.38,-52.13,;9.85,-51.65,;10.76,-52.9,;9.85,-54.15,;8.38,-53.67,;7.04,-54.45,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM492832 (7-((1-phenylethyl)thio)- 3H-[1,2,3]triazolo[4,5- b...) Show SMILES CC(Sc1cc(N)nc2[nH]nnc12)c1ccccc1 Show InChI	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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM492832 (7-((1-phenylethyl)thio)- 3H-[1,2,3]triazolo[4,5- b...) Show SMILES CC(Sc1cc(N)nc2[nH]nnc12)c1ccccc1 Show InChI	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 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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM492834 (7-((2,5-difluoro-4-(1,2,4- oxadiazol-3-yl)benzyl)t...) Show SMILES Nc1cc(SCc2cc(F)c(cc2F)-c2ncon2)c2nn[nH]c2n1 Show InChI InChI=1S/C14H9F2N7OS/c15-8-2-7(13-18-5-24-22-13)9(16)1-6(8)4-25-10-3-11(17)19-14-12(10)20-23-21-14/h1-3,5H,4H2,(H3,17,19,20,21,23)	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 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) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair

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