BDBM50253009 2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one::CHEMBL492837

SMILES: COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1

InChI Key: InChIKey=IKLXSHDEPYGLRG-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 = 50253009   

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
Thymidylate synthase (Escherichia coli)	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii thymidylate synthase				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50253009 (2-Amino-5-[(2,5-dimethoxyphenyl)sulfanyl]-6-methyl...) Show SMILES COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 Show InChI InChI=1S/C15H16N4O3S/c1-7-12(11-13(17-7)18-15(16)19-14(11)20)23-10-6-8(21-2)4-5-9(10)22-3/h4-6H,1-3H3,(H4,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				J Med Chem 51: 5789-97 (2008) Article DOI: 10.1021/jm8006933 BindingDB Entry DOI: 10.7270/Q2FF3T7B
					More data for this Ligand-Target Pair