Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50012090   

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))	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))	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))	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))	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))	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))	BDBM50554051 (CHEMBL4795827) Show SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@H](C2)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	15	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))	BDBM357630 (7-(3- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2cccc(Cl)c2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(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	16	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 240 mM NaCl and 10 uM H2O2 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))	BDBM357653 (3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin- ...) Show SMILES Nc1cc(Cc2cccc(c2)C#N)c2nn[nH]c2n1 Show InChI InChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,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	17	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 240 mM NaCl and 10 uM H2O2 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))	BDBM50554036 (CHEMBL4764237) Show SMILES COC(=O)c1cccc(Cc2cc(N)nc3[nH]nnc23)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50554055 (CHEMBL4755252) Show SMILES Nc1cc([C@H](CCCN2CCC(CC2)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	20	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))	BDBM357629 (7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...) Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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 240 mM NaCl and 10 uM H2O2 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))	BDBM357653 (3-((5-amino- 3H- [1,2,3]triazolo [4,5-b] pyridin- ...) Show SMILES Nc1cc(Cc2cccc(c2)C#N)c2nn[nH]c2n1 Show InChI InChI=1S/C13H10N6/c14-7-9-3-1-2-8(4-9)5-10-6-11(15)16-13-12(10)17-19-18-13/h1-4,6H,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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50554053 (CHEMBL4776151) Show SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@H](OC2)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	28	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))	BDBM50554036 (CHEMBL4764237) Show SMILES COC(=O)c1cccc(Cc2cc(N)nc3[nH]nnc23)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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 240 mM NaCl and 10 uM H2O2 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))	BDBM357630 (7-(3- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2cccc(Cl)c2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10ClN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6H,4H2,(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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357651 (7-(2- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(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	32	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 240 mM NaCl and 10 uM H2O2 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
Eosinophil peroxidase (Human)	BDBM357629 (7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...) Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins				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))	BDBM50507389 (CHEMBL4530093) Show SMILES Nc1cc(OCc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5O/c13-10-6-9(11-12(14-10)16-17-15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357629 (7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...) Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357651 (7-(2- fluorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2ccccc2F)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10FN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(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	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50507389 (CHEMBL4530093) Show SMILES Nc1cc(OCc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5O/c13-10-6-9(11-12(14-10)16-17-15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 240 mM NaCl and 10 uM H2O2 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))	BDBM357634 (7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...) Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1 Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	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 240 mM NaCl and 10 uM H2O2 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))	BDBM50554045 (CHEMBL4800005) Show SMILES Nc1cc([C@H](CCNCc2ccccc2)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	72	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))	BDBM50554049 (CHEMBL4760380) Show SMILES Nc1cc([C@H](CCN[C@H]2CCc3ccccc23)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	72	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))	BDBM357645 (US10214527, Example 17) Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357629 (7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...) Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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
Eosinophil peroxidase (Human)	BDBM50554034 (CHEMBL4747269) Show SMILES Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins				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))	BDBM50554048 (CHEMBL4747086) Show SMILES Nc1cc([C@H](CCNCc2ccccc2C(F)(F)F)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	94	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))	BDBM50106515 (7-Benzyloxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-y...) Show SMILES Nc1nc(OCc2ccccc2)c2[nH]nnc2n1 Show InChI InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50106515 (7-Benzyloxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-y...) Show SMILES Nc1nc(OCc2ccccc2)c2[nH]nnc2n1 Show InChI InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	105	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 240 mM NaCl and 10 uM H2O2 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))	BDBM50554038 (CHEMBL4762281) Show SMILES Nc1nc(Cc2ccccc2)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	110	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 240 mM NaCl and 10 uM H2O2 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))	BDBM50554043 (CHEMBL4763067) Show SMILES Nc1cc([C@H](CCCc2ccccc2)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	124	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))	BDBM357645 (US10214527, Example 17) Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	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 240 mM NaCl and 10 uM H2O2 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))	BDBM50554042 (CHEMBL4761170) Show SMILES Nc1cc([C@H](Cc2ccccc2)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	141	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))	BDBM50554044 (CHEMBL4792720) Show SMILES Nc1cc([C@H](CCOCc2ccccc2)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	159	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))	BDBM357634 (7-(naphthalen- 2-ylmethyl)- 3H-[1,2,3] triazolo[4,...) Show SMILES Nc1cc(Cc2ccc3ccccc3c2)c2nn[nH]c2n1 Show InChI InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357633 (7-(2- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2ccccc2Cl)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10ClN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(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	286	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 240 mM NaCl and 10 uM H2O2 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
Eosinophil peroxidase (Human)	BDBM50554035 (CHEMBL4790231) Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins				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))	BDBM50554038 (CHEMBL4762281) Show SMILES Nc1nc(Cc2ccccc2)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	428	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50554047 (CHEMBL4763260) Show SMILES Nc1cc([C@H](CCNCc2ccccn2)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	616	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))	BDBM357654 (7-(3- (trifluorometh- yl)benzyl)-3H- [1,2,3]triazo...) Show SMILES Nc1cc(Cc2cccc(c2)C(F)(F)F)c2nn[nH]c2n1 Show InChI InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	683	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 240 mM NaCl and 10 uM H2O2 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))	BDBM357633 (7-(2- chlorobenzyl)- 3H- [1,2,3]triazolo [4,5-b]py...) Show SMILES Nc1cc(Cc2ccccc2Cl)c2nn[nH]c2n1 Show InChI InChI=1S/C12H10ClN5/c13-9-4-2-1-3-7(9)5-8-6-10(14)15-12-11(8)16-18-17-12/h1-4,6H,5H2,(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	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM357654 (7-(3- (trifluorometh- yl)benzyl)-3H- [1,2,3]triazo...) Show SMILES Nc1cc(Cc2cccc(c2)C(F)(F)F)c2nn[nH]c2n1 Show InChI InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-7(5-9)4-8-6-10(17)18-12-11(8)19-21-20-12/h1-3,5-6H,4H2,(H3,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye 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))	BDBM50554046 (CHEMBL4783713) Show SMILES Nc1cc(C(CCc2ccccc2)c2ccccc2)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	>1.50E+3	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))	BDBM50554037 (CHEMBL4760627) Show SMILES Nc1cc(Cc2ccc(Cl)cc2)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	1.70E+3	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 240 mM NaCl and 10 uM H2O2 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50554043 (CHEMBL4763067) Show SMILES Nc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM357629 (7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine ...) Show SMILES Nc1cc(Cc2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TPO (unknown origin) using 3-iodo tyrosine as substrate incubated for 10 mins				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50554044 (CHEMBL4792720) Show SMILES Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair

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