BindingDB PrimarySearch

Found 9 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM18769'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Thymidylate synthase (Escherichia coli)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.0	20
Università di Modena e Reggio Emilia					Assay Description The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...				Chem Biol 10: 1183-93 (2003) Article DOI: 10.1016/j.chembiol.2003.11.012 BindingDB Entry DOI: 10.7270/Q2TT4PDH
Università di Modena e Reggio Emilia					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIMORE					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: 5958-68 (2006) Article DOI: 10.1021/jm051187d BindingDB Entry DOI: 10.7270/Q2S180R0
UNIMORE					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.4	20
UNIMORE					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: 5958-68 (2006) Article DOI: 10.1021/jm051187d BindingDB Entry DOI: 10.7270/Q2S180R0
UNIMORE					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.0	20
Università di Modena e Reggio Emilia					Assay Description The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...				Chem Biol 10: 1183-93 (2003) Article DOI: 10.1016/j.chembiol.2003.11.012 BindingDB Entry DOI: 10.7270/Q2TT4PDH
Università di Modena e Reggio Emilia					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase.				J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5
Università di Modena e Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Cryptococcus neoformans)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIMORE					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: 5958-68 (2006) Article DOI: 10.1021/jm051187d BindingDB Entry DOI: 10.7270/Q2S180R0
UNIMORE					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.02E+5	>-19.1	n/a	n/a	n/a	n/a	n/a	7.0	20
Università di Modena e Reggio Emilia					Assay Description The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...				Chem Biol 10: 1183-93 (2003) Article DOI: 10.1016/j.chembiol.2003.11.012 BindingDB Entry DOI: 10.7270/Q2TT4PDH
Università di Modena e Reggio Emilia					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.02E+5	>-19.1	n/a	n/a	n/a	n/a	n/a	7.0	20
Università di Modena e Reggio Emilia					Assay Description The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...				Chem Biol 10: 1183-93 (2003) Article DOI: 10.1016/j.chembiol.2003.11.012 BindingDB Entry DOI: 10.7270/Q2TT4PDH
Università di Modena e Reggio Emilia					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18769 (1,8-naphthalein derivative, 17 \| 4,4-bis(3-fluoro-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIMORE					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: 5958-68 (2006) Article DOI: 10.1021/jm051187d BindingDB Entry DOI: 10.7270/Q2S180R0
UNIMORE					More data for this Ligand-Target Pair