Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Protein-L-isoaspartate(D-aspartate) O-methyltransferase'   

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
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50406624 (CHEMBL2093043) Show SMILES N[C@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7+,8-,10-,11-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using protein extracted from the 12000g pellet(P12).				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. 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) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. 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) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50406624 (CHEMBL2093043) Show SMILES N[C@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7+,8-,10-,11-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using protein extracted from the 12000g pellet(P12).				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50368311 (CHEMBL609345) Show SMILES NC(CC[C@H](N)C(O)=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H22N4O7/c15-6(1-2-7(16)13(22)23)5-8-10(20)11(21)12(25-8)18-4-3-9(19)17-14(18)24/h3-4,6-8,10-12,20-21H,1-2,5,15-16H2,(H,22,23)(H,17,19,24)/t6?,7-,8+,10+,11+,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.68E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (Homo sapiens (Human))	BDBM50368311 (CHEMBL609345) Show SMILES NC(CC[C@H](N)C(O)=O)C[C@H]1OC([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H22N4O7/c15-6(1-2-7(16)13(22)23)5-8-10(20)11(21)12(25-8)18-4-3-9(19)17-14(18)24/h3-4,6-8,10-12,20-21H,1-2,5,15-16H2,(H,22,23)(H,17,19,24)/t6?,7-,8+,10+,11+,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. 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) BindingDB Entry DOI: 10.7270/Q2T1548J
					More data for this Ligand-Target Pair