BDBM31786 thieno[2,3-d]pyrimidine deriv., 2i

SMILES: CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1

InChI Key: InChIKey=KQSXADQQPBUVSR-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 = 31786   

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 (Homo sapiens (Human))	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Escherichia coli)	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Escherichia coli)	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM31786 (thieno[2,3-d]pyrimidine deriv., 2i) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H12FN3OS2/c1-2-9-11(20-8-5-3-7(15)4-6-8)10-12(19)17-14(16)18-13(10)21-9/h3-6H,2H2,1H3,(H3,16,17,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK
					More data for this Ligand-Target Pair