BDBM18801 2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one::Pyrrolo[2,3-d]pyrimidine analogue, 7

SMILES: CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1

InChI Key: InChIKey=MZRKHDOZTZOPLD-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 = 18801   

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))	BDBM18801 (2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN4OS/c1-2-9-11(21-8-5-3-7(15)4-6-8)10-12(17-9)18-14(16)19-13(10)20/h3-6H,2H2,1H3,(H4,16,17,18,19,20)	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	>3.20E+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)	BDBM18801 (2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN4OS/c1-2-9-11(21-8-5-3-7(15)4-6-8)10-12(17-9)18-14(16)19-13(10)20/h3-6H,2H2,1H3,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.70E+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))	BDBM18801 (2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN4OS/c1-2-9-11(21-8-5-3-7(15)4-6-8)10-12(17-9)18-14(16)19-13(10)20/h3-6H,2H2,1H3,(H4,16,17,18,19,20)	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	2.70E+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 49: 1055-65 (2006) Article DOI: 10.1021/jm058276a BindingDB Entry DOI: 10.7270/Q2833Q90
					More data for this Ligand-Target Pair