Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'neissel valente' and Initial = 'mw'   

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))	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))	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567715 (CHEMBL4855931) Show SMILES Nc1cc(Cc2ccn(n2)-c2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567722 (CHEMBL4862053) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	BDBM434846 (7-{18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,...) Show SMILES Nc1cc(C2CCNCCc3cccc(Oc4cccc(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	14	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))	BDBM434858 (7-{18-Oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,...) Show SMILES Nc1cc(C2CCNCCc3cccc(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	17	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567718 (CHEMBL4863015) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)c2nn[nH]c2n1 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	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	BDBM434870 (7-{8,9,15-triazatetracyclo[16.3.1.12,6.18,11]tetra...) Show SMILES Nc1cc(C2CCNCCc3cccc(c3)-c3cccc(Cn4cc2cn4)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	21	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))	BDBM434841 (7-{18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...) Show SMILES Nc1cc(C2CCNCc3cccc(COc4cccc(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	25	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))	BDBM50567723 (CHEMBL4860429) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)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	26	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))	BDBM434862 (7-{14′-Oxa-3′,4′,10′-triaz...) Show SMILES Nc1cc(C2CCNCC3(CCCC3)COc3cccc(Cn4cc2cn4)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	26	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))	BDBM434873 (7-{5-Amino-3H-[1,2,3]triazolo[4,5-b]pyridin-7-yl}-...) Show SMILES Nc1cc(C2CCNCC(=O)N(CCc3ccccc3)Cc3cccc(Cn4cc2cn4)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	29	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))	BDBM434843 (7-{3-Oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110...) Show SMILES Nc1cc(C2CCNC3CCC(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |(-4.53,-6.28,;-3.2,-5.51,;-3.2,-3.97,;-1.86,-3.2,;-1.86,-1.66,;-.53,-.89,;.8,-1.66,;2.14,-.89,;5.57,1.94,;4.09,2.33,;2.6,1.94,;1.83,3.28,;3.31,2.89,;4.8,3.28,;.49,2.51,;.09,3.99,;-1.39,4.39,;-1.79,5.88,;-3.28,6.28,;-4.37,5.19,;-3.97,3.7,;-5.06,2.61,;-4.66,1.13,;-3.2,.65,;-3.2,-.89,;-4.66,-1.37,;-5.57,-.12,;-2.48,3.3,;-.53,-3.97,;.94,-3.49,;1.84,-4.74,;.94,-5.99,;-.53,-5.51,;-1.86,-6.28,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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))	BDBM434845 (7-{17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,...) Show SMILES Nc1cc(C2CCNCc3cccc(Oc4cccc(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	36	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567721 (CHEMBL4878518) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1 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	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	BDBM50567721 (CHEMBL4878518) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)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	39	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567717 (CHEMBL4853722) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1 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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	BDBM50567722 (CHEMBL4862053) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)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	44	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))	BDBM50567724 (CHEMBL4877407) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(O[C@H]4CCNC4)c3)n2)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	46	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))	BDBM50567717 (CHEMBL4853722) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)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	52	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))	BDBM50567712 (CHEMBL4869433) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccc(F)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	53	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))	BDBM50567714 (CHEMBL4855030) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccn2)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	54	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))	BDBM50567718 (CHEMBL4863015) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)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	55	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))	BDBM50567713 (CHEMBL4859908) Show SMILES Nc1cc(Cc2ccn(n2)-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	55	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))	BDBM50567720 (CHEMBL4855956) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4CNCCc4c3)n2)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	58	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))	BDBM50567715 (CHEMBL4855931) Show SMILES Nc1cc(Cc2ccn(n2)-c2cccc(c2)-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	85	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))	BDBM50567725 (CHEMBL4859470) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)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	100	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567712 (CHEMBL4869433) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccc(F)cc2)c2nn[nH]c2n1 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	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				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))	BDBM50567716 (CHEMBL4846080) Show SMILES Nc1cc(Cc2ccn(Cc3ccccc3)n2)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	120	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))	BDBM50567719 (CHEMBL4871587) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)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	140	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567723 (CHEMBL4860429) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)c2nn[nH]c2n1 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	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567719 (CHEMBL4871587) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1 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	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567714 (CHEMBL4855030) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccn2)c2nn[nH]c2n1 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	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567713 (CHEMBL4859908) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccc2)c2nn[nH]c2n1 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	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567716 (CHEMBL4846080) Show SMILES Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1 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	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567713 (CHEMBL4859908) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccc2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567712 (CHEMBL4869433) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccc(F)cc2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567715 (CHEMBL4855931) Show SMILES Nc1cc(Cc2ccn(n2)-c2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567722 (CHEMBL4862053) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567717 (CHEMBL4853722) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567718 (CHEMBL4863015) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567723 (CHEMBL4860429) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt 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 C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567719 (CHEMBL4871587) Show SMILES Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt 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 C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567721 (CHEMBL4878518) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567714 (CHEMBL4855030) Show SMILES Nc1cc(Cc2ccn(n2)-c2ccccn2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM50567716 (CHEMBL4846080) Show SMILES Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubate...				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))	BDBM50567725 (CHEMBL4859470) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometry				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50567725 (CHEMBL4859470) Show SMILES Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)c2nn[nH]c2n1 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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair

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