BDBM18805 2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}-6-ethyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one::Pyrrolo[2,3-d]pyrimidine analogue, 14

SMILES: CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=UKXOJRQHBOONPF-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 = 18805   

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))	BDBM18805 (2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfany...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H12F6N4OS/c1-2-9-11(10-12(24-9)25-14(23)26-13(10)27)28-8-4-6(15(17,18)19)3-7(5-8)16(20,21)22/h3-5H,2H2,1H3,(H4,23,24,25,26,27)	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	>2.40E+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)	BDBM18805 (2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfany...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H12F6N4OS/c1-2-9-11(10-12(24-9)25-14(23)26-13(10)27)28-8-4-6(15(17,18)19)3-7(5-8)16(20,21)22/h3-5H,2H2,1H3,(H4,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM18805 (2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfany...) Show SMILES CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H12F6N4OS/c1-2-9-11(10-12(24-9)25-14(23)26-13(10)27)28-8-4-6(15(17,18)19)3-7(5-8)16(20,21)22/h3-5H,2H2,1H3,(H4,23,24,25,26,27)	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	>2.20E+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