Compile Data Set for Download or QSAR

Found 19 hits of ic50 data for polymerid = 50003546   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268080 ((S)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...) Show SMILES CC(C)(CCSCC[C@H](N)C(O)=O)CC(O)=O |r| Show InChI InChI=1S/C11H21NO4S/c1-11(2,7-9(13)14)4-6-17-5-3-8(12)10(15)16/h8H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268079 ((RS)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylp...) Show SMILES CC(C)(CCSCCC(N)C(O)=O)CC(O)=O Show InChI InChI=1S/C11H21NO4S/c1-11(2,7-9(13)14)4-6-17-5-3-8(12)10(15)16/h8H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (Homo sapiens (Human))	BDBM50189914 ((R,S)-2-amino-4-(2-carboxymethylsulfanyl-ethylsulf...) Show SMILES NC(CCSCCSCC(O)=O)C(O)=O Show InChI InChI=1S/C8H15NO4S2/c9-6(8(12)13)1-2-14-3-4-15-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189917 ((R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentano...) Show SMILES NC(CCSCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 (Homo sapiens (Human))	BDBM50268078 ((RS,RS)-5-(3-Amino-3-carboxypropylthio)-3-methylpe...) Show SMILES CC(CCSCCC(N)C(O)=O)CC(O)=O Show InChI InChI=1S/C10H19NO4S/c1-7(6-9(12)13)2-4-16-5-3-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189912 ((R,S)-6-(3-amino-3-carboxy-propylsulfanyl)-hexanoi...) Show SMILES NC(CCSCCCCCC(O)=O)C(O)=O Show InChI InChI=1S/C10H19NO4S/c11-8(10(14)15)5-7-16-6-3-1-2-4-9(12)13/h8H,1-7,11H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268032 ((RS)-5-(3-Amino-3-carboxypropylselanyl)pentanoic A...) Show SMILES NC(CC[Se]CCCCC(O)=O)C(O)=O Show InChI InChI=1S/C9H17NO4Se/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	649	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268081 ((R)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...) Show SMILES CC(C)(CCSCC[C@@H](N)C(O)=O)CC(O)=O |r| Show InChI InChI=1S/C11H21NO4S/c1-11(2,7-9(13)14)4-6-17-5-3-8(12)10(15)16/h8H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	701	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50436836 (CHEMBL2403304) Show SMILES CC(C)(CCSCCC(=N)P(O)O)CC(O)=O Show InChI InChI=1S/C10H20NO4PS/c1-10(2,7-9(12)13)4-6-17-5-3-8(11)16(14)15/h11,14-15H,3-7H2,1-2H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268055 ((RS)-2-Amino-4-{2-[(carboxymethyl)(methyl)amino]et...) Show SMILES CN(CCSCCC(N)C(O)=O)CC(O)=O Show InChI InChI=1S/C9H18N2O4S/c1-11(6-8(12)13)3-5-16-4-2-7(10)9(14)15/h7H,2-6,10H2,1H3,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50268031 ((RS)-2-Amino-4-[(2-carboxyethylthio)methylthio]but...) Show SMILES NC(CCSCSCCC(O)=O)C(O)=O Show InChI InChI=1S/C8H15NO4S2/c9-6(8(12)13)1-3-14-5-15-4-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189915 ((R,S)-5-(3-amino-3-carboxy-propylsulfinyl)-pentano...) Show SMILES NC(CCS(=O)CCCCC(O)=O)C(O)=O Show InChI InChI=1S/C9H17NO5S/c10-7(9(13)14)4-6-16(15)5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50436835 (CHEMBL2403303) Show SMILES OP(O)C(=N)CCSCCCCC(O)=O Show InChI InChI=1S/C8H16NO4PS/c9-7(14(12)13)4-6-15-5-2-1-3-8(10)11/h9,12-13H,1-6H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189916 ((R,S)-2-amino-4-(4-phosphono-butylsulfanyl)-butyri...) Show SMILES NC(CCSCCCCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C8H18NO5PS/c9-7(8(10)11)3-6-16-5-2-1-4-15(12,13)14/h7H,1-6,9H2,(H,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50189913 ((R,S)-4-(3-amino-3-carboxy-propylsulfanyl)-benzoic...) Show SMILES NC(CCSc1ccc(cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C11H13NO4S/c12-9(11(15)16)5-6-17-8-3-1-7(2-4-8)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	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
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50395382 (CHEMBL2164724) Show SMILES CC(CCSCC[C@H](N)C(O)=O)CCC(N)C(O)=O |r| Show InChI InChI=1S/C12H24N2O4S/c1-8(2-3-9(13)11(15)16)4-6-19-7-5-10(14)12(17)18/h8-10H,2-7,13-14H2,1H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.66E+4	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 recombinant human BHMT expressed in Escherichia coli BL31(DE3)				J Med Chem 55: 6822-31 (2012) Article DOI: 10.1021/jm300571h BindingDB Entry DOI: 10.7270/Q2BV7HSH
					More data for this Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1 (Homo sapiens (Human))	BDBM50436834 (CHEMBL2403302) Show SMILES NC(CCSCCCCC(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H18NO5PS/c9-7(15(12,13)14)4-6-16-5-2-1-3-8(10)11/h7H,1-6,9H2,(H,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+5	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