BindingDB PrimarySearch

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50032289
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 (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of thymidin synthase				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of DHFR				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid \| CHEMBL1230579 \| PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by uncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of GARFT				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid \| CHEMBL1230579 \| PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by noncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50326712 (2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of ERalpha expressed in human tumor cells				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326712 (2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of thymidin synthase				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)