Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50013257   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Methionine synthase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564145 (CHEMBL4778495) Show SMILES CCc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 63 uM of methyltetrahydrofolate as substrate incubated fo...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564148 (CHEMBL4789573) Show SMILES Nc1nc(N)c2N(C(CCc3ccc(F)cc3)CCc2n1)C(=O)CCl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564143 (CHEMBL4787377) Show SMILES Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564145 (CHEMBL4778495) Show SMILES CCc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 126 uM of methyltetrahydrofolate as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564145 (CHEMBL4778495) Show SMILES CCc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 252 uM of methyltetrahydrofolate as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564145 (CHEMBL4778495) Show SMILES CCc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564147 (CHEMBL4776344) Show SMILES CC(C)(C)c1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564149 (CHEMBL4796741) Show SMILES Nc1nc(N)c2N(C(CCc3ccc(Cl)cc3)CCc2n1)C(=O)CCl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564146 (CHEMBL4777807) Show SMILES CC(C)c1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564144 (CHEMBL4795611) Show SMILES Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CBr)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair
Methionine synthase (Homo sapiens (Human))	BDBM50564150 (CHEMBL4791051) Show SMILES COc1ccccc1CCC1CCc2nc(N)nc(N)c2N1C(=O)CCl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ
					More data for this Ligand-Target Pair