BDBM31781 thieno[2,3-d]pyrimidine deriv., 2d

SMILES: CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC

InChI Key: InChIKey=HKYLFTIWFQQKFJ-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 = 31781   

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))	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	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	4.60E+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)	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.30E+4	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)	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	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	840	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)	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.80E+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)	BDBM31781 (thieno[2,3-d]pyrimidine deriv., 2d) Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC Show InChI InChI=1S/C16H17N3O3S2/c1-4-10-13(12-14(20)18-16(17)19-15(12)24-10)23-11-7-8(21-2)5-6-9(11)22-3/h5-7H,4H2,1-3H3,(H3,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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					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