BDBM312243 1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::US10016430, Example 6::US9616063, 6

SMILES: CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S

InChI Key: InChIKey=JZRGPABFYJPXQJ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 312243   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Myeloperoxidase (Homo sapiens (Human))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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
Thyroid peroxidase (Homo sapiens (Human))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with ...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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)
					More data for this Ligand-Target Pair
Thyroid peroxidase (Homo sapiens (Human))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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)
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312243 (1-{4-Chloro-2-[(ethylamino)methyl]benzyl}-2-thioxo...) Show SMILES CCNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;HN;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-18-8-11-7-12(17)4-3-10(11)9-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,18-19H,2,8-9H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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