BindingDB PrimarySearch

Found 5 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM18753'
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 (Lactobacillus casei)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	800	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California at San Francisco					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG
University of California at San Francisco					More data for this Ligand-Target Pair				3D Structure (docked)
Thymidylate synthase (Escherichia coli)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	4.10E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California at San Francisco					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG
University of California at San Francisco					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Cryptococcus neoformans)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.10E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California at San Francisco					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG
University of California at San Francisco					More data for this Ligand-Target Pair
Thymidylate synthase (Pneumocystis carinii)	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.80E+4	-25.6	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California at San Francisco					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG
University of California at San Francisco					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.45E+5	>-20.3	n/a	n/a	n/a	n/a	n/a	7.4	20
University of California at San Francisco					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG
University of California at San Francisco					More data for this Ligand-Target Pair