Affinity Data by PDB ID

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PDB code 1LT8

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data
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
Betaine--homocysteine S-methyltransferase 1 (399/406 = 98%)^† (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Binding affinity to human recombinant BHMT expressed in Escherichia coli using variable levels of betaine substrate by Dixon plot				J Med Chem 52: 3652-65 (2009) Article DOI: 10.1021/jm8015798 BindingDB Entry DOI: 10.7270/Q2ZG6S55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Betaine--homocysteine S-methyltransferase 1 (399/406 = 98%)^† (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human BHMT				J Med Chem 49: 3982-9 (2006) Article DOI: 10.1021/jm050885v BindingDB Entry DOI: 10.7270/Q2S75FXJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Betaine--homocysteine S-methyltransferase 1 (399/406 = 98%)^† (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human recombinant BHMT using N-methyl-[14C]-betaine/D,L-homocysteine as substrate after 30 mins by scintiillation counting analysis				Eur J Med Chem 65: 256-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.039 BindingDB Entry DOI: 10.7270/Q2028SZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Betaine--homocysteine S-methyltransferase 1 (399/406 = 98%)^† (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrate				J Med Chem 52: 3652-65 (2009) Article DOI: 10.1021/jm8015798 BindingDB Entry DOI: 10.7270/Q2ZG6S55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Betaine--homocysteine S-methyltransferase 1 (399/406 = 98%)^† (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Binding affinity to human recombinant BHMT expressed in Escherichia coli by intrinsic tryptophan fluorescence studies				J Med Chem 52: 3652-65 (2009) Article DOI: 10.1021/jm8015798 BindingDB Entry DOI: 10.7270/Q2ZG6S55
					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output