BDBM28422 (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfanylium)butanoate::AdoMet::S-Adenosylmethionine::S-adenosyl-L-[carboxy-14C]methionine::[14COOH]AdoMet

SMILES: C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=MEFKEPWMEQBLKI-AIRLBKTGSA-N

Data: 7 KI  1 IC50  11 Kd  1 EC50  9 ITC

PDB links: 127 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 28422   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	675	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Protein-beta-aspartate methyltransferase (Homo sapiens (Human))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12).				J Med Chem 35: 63-7 (1992) Article DOI: 10.1021/jm00079a007 BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase 1 (Rattus norvegicus)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 550-6 (1982) Article DOI: 10.1021/jm00347a014 BindingDB Entry DOI: 10.7270/Q2VX0H37
					More data for this Ligand-Target Pair
Protein-beta-aspartate methyltransferase (Homo sapiens (Human))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12).				J Med Chem 35: 63-7 (1992) Article DOI: 10.1021/jm00079a007 BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase 1 (Rattus norvegicus)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine				J Med Chem 25: 550-6 (1982) Article DOI: 10.1021/jm00347a014 BindingDB Entry DOI: 10.7270/Q2VX0H37
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.67E+4	n/a	n/a	n/a	7.5	25
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.72E+4	n/a	n/a	n/a	7.5	4
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	7.5	4
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.07E+4	n/a	n/a	n/a	7.5	4
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	7.5	4
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	7.5	5
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activity of human wild type PNMT assessed as phenylethanolamine methylation				J Med Chem 48: 7243-52 (2005) Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Met repressor (Escherichia coli)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropy				Bioorg Med Chem Lett 22: 278-84 (2011) Article DOI: 10.1016/j.bmcl.2011.11.017 BindingDB Entry DOI: 10.7270/Q2HQ40BH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Met repressor (Escherichia coli)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study				Bioorg Med Chem Lett 22: 278-84 (2011) Article DOI: 10.1016/j.bmcl.2011.11.017 BindingDB Entry DOI: 10.7270/Q2HQ40BH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	PDB GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Park Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting				Bioorg Med Chem Lett 20: 2103-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.069 BindingDB Entry DOI: 10.7270/Q2WQ04SW
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	7.5	10
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	7.5	15
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...) Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	7.5	20
Washington University									J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 28422

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.69	0.0676	-6.69	n/a	7.5	10
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.45	2.41	-8.84	n/a	7.5	15
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.69	-1.99	-4.54	n/a	7.5	5
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.45	4.76	-11.1	n/a	7.5	20
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.21	7.83	-14.3	n/a	7.5	25
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-5.73	9.27	-15.1	n/a	7.5	4
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.21	6.22	-12.5	n/a	7.5	4
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.69	6.62	-13.6	n/a	7.5	4
Washington University					J Biol Chem 286: 38060-8 (2011)
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM28422 ((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)	GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB		-6.93	5.49	-12.7	n/a	7.5	4
Washington University					J Biol Chem 286: 38060-8 (2011)