BDBM50253038 2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one::CHEMBL495124

SMILES: Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1

InChI Key: InChIKey=PXTOBFKTYOPTQD-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 = 50253038   

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)	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	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)	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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 (Escherichia coli)	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	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	5.80E+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
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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 (Homo sapiens (Human))	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	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	2.90E+3	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
Thymidylate synthase (Homo sapiens (Human))	BDBM50253038 (2-Amino-6-methyl-5-(2-naphthylsulfanyl)thieno[2,3-...) Show SMILES Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Show InChI InChI=1S/C17H13N3OS2/c1-9-14(13-15(21)19-17(18)20-16(13)22-9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H3,18,19,20,21)	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	120	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