BDBM18806 2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one::Pyrrolo[2,3-d]pyrimidine analogue, 15

SMILES: CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1c(C)cccc1C

InChI Key: InChIKey=JJILJYVWFOYCRH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 18806   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18806 (2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1c(C)cccc1C Show InChI InChI=1S/C16H18N4OS/c1-4-10-13(22-12-8(2)6-5-7-9(12)3)11-14(18-10)19-16(17)20-15(11)21/h5-7H,4H2,1-3H3,(H4,17,18,19,20,21)	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	>3.10E+4	n/a	n/a	n/a	n/a	7.4	30
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 49: 1055-65 (2006) Article DOI: 10.1021/jm058276a BindingDB Entry DOI: 10.7270/Q2833Q90
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Escherichia coli)	BDBM18806 (2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1c(C)cccc1C Show InChI InChI=1S/C16H18N4OS/c1-4-10-13(22-12-8(2)6-5-7-9(12)3)11-14(18-10)19-16(17)20-15(11)21/h5-7H,4H2,1-3H3,(H4,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.60E+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 49: 1055-65 (2006) Article DOI: 10.1021/jm058276a BindingDB Entry DOI: 10.7270/Q2833Q90
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18806 (2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1c(C)cccc1C Show InChI InChI=1S/C16H18N4OS/c1-4-10-13(22-12-8(2)6-5-7-9(12)3)11-14(18-10)19-16(17)20-15(11)21/h5-7H,4H2,1-3H3,(H4,17,18,19,20,21)	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	2.60E+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 49: 1055-65 (2006) Article DOI: 10.1021/jm058276a BindingDB Entry DOI: 10.7270/Q2833Q90
					More data for this Ligand-Target Pair