Compile Data Set for Download or QSAR

Found 2298 hits Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine synthase isoform type-2'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEBI KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85447 (Epoxy analogue, I(a)) Show SMILES N[C@@H](C[C@H]1CO1)C(O)=O Show InChI InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	7.00E+3	-30.6	5.00E+4	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367328 (CHEMBL1791415) Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H26N7O13P3S/c16-6(15(25)26)1-2-39-7(3-36(27,28)35-38(32,33)21-37(29,30)31)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H2,17,18,19)(H4,21,29,30,31,32,33)/t6?,7?,9-,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367329 (CHEMBL1791416) Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H25N6O14P3S/c16-6(15(24)25)1-2-39-7(3-36(26,27)34-38(31,32)35-37(28,29)30)11-9(22)10(23)14(33-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50452293 (CHEMBL2092766) Show SMILES CCC[C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-13(4-28-33(24,25)31-34(26,27)30-32(21,22)23)9(20)8(19)12(29-13)18-6-17-7-10(14)15-5-16-11(7)18/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t8-,9+,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367301 (CHEMBL1791432) Show SMILES CCCC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-6(29-33(24,25)31-34(26,27)30-32(21,22)23)10-8(19)9(20)13(28-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6?,8-,9+,10+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85448 (Epoxy analogue, I(b)) Show SMILES C[C@H]1O[C@H]1C[C@H](N)C(O)=O Show InChI InChI=1S/C6H11NO3/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4+,5+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.10E+4	-25.0	1.00E+5	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367042 (CHEMBL606221) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H18N5O13P3/c12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)1-2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,1-2H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85450 (Epithioamino acid analogue, II(a)) Show SMILES N[C@@H](C[C@@H]1CS1)C(O)=O Show InChI InChI=1S/C5H9NO2S/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	-23.7	1.40E+5	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85449 (Epoxy analogue, I(c)) Show SMILES C[C@@H]1O[C@H]1C[C@H](N)C(O)=O Show InChI InChI=1S/C6H11NO3/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4-,5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.05E+5	-23.6	1.10E+5	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85451 (Epithioamino acid analogue, II(b)) Show SMILES C[C@H]1S[C@@H]1C[C@H](N)C(O)=O Show InChI InChI=1S/C6H11NO2S/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4+,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	-22.9	3.00E+5	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM85452 (Epithioamino acid analogue, II(c)) Show SMILES C[C@@H]1S[C@@H]1C[C@H](N)C(O)=O Show InChI InChI=1S/C6H11NO2S/c1-3-5(10-3)2-4(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3-,4-,5+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	-22.9	4.00E+5	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50026197 (Adenosine 5'-triphosphate derivative | CHEMBL31428...) Show SMILES CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367331 (CHEMBL1791417) Show SMILES NC(CCS(=O)C(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H25N6O15P3S/c16-6(15(24)25)1-2-40(33)7(3-37(26,27)35-39(31,32)36-38(28,29)30)11-9(22)10(23)14(34-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50026193 (Adenosine 5'-triphosphate derivative | CHEMBL31428...) Show SMILES CO[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H18N5O13P3/c1-25-8-5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367329 (CHEMBL1791416) Show SMILES NC(CCSC(CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C15H25N6O14P3S/c16-6(15(24)25)1-2-39-7(3-36(26,27)34-38(31,32)35-37(28,29)30)11-9(22)10(23)14(33-11)21-5-20-8-12(17)18-4-19-13(8)21/h4-7,9-11,14,22-23H,1-3,16H2,(H,24,25)(H,26,27)(H,31,32)(H2,17,18,19)(H2,28,29,30)/t6?,7?,9-,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367305 (CHEMBL1791430) Show SMILES CC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4?,6-,7+,8+,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50452293 (CHEMBL2092766) Show SMILES CCC[C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H22N5O13P3/c1-2-3-13(4-28-33(24,25)31-34(26,27)30-32(21,22)23)9(20)8(19)12(29-13)18-6-17-7-10(14)15-5-16-11(7)18/h5-6,8-9,12,19-20H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t8-,9+,12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable...				J Med Chem 29: 1030-8 (1986) Article DOI: 10.1021/jm00156a022 BindingDB Entry DOI: 10.7270/Q2CF9QN4
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367307 (CHEMBL1791431) Show SMILES CCCSC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H22N5O13P3S/c1-2-3-35-13(29-33(24,25)31-34(26,27)30-32(21,22)23)9-7(19)8(20)12(28-9)18-5-17-6-10(14)15-4-16-11(6)18/h4-5,7-9,12-13,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t7-,8+,9-,12+,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50118221 (9H-purine derivative | CHEMBL132722 | DIPHOSPHOMET...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid 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 Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367300 (CHEMBL610977) Show SMILES CCCCSc1ncnc2n(cnc12)C1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C13H21N4O13P3S/c1-2-3-4-34-11-7-10(14-5-15-11)17(6-16-7)12-8(18)9(19)13(27-12)28-32(23,24)30-33(25,26)29-31(20,21)22/h5-6,8-9,12-13,18-19H,2-4H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-,9+,12?,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367303 (CHEMBL1791433) Show SMILES CSC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11(27-31(22,23)29-32(24,25)28-30(19,20)21)7-5(17)6(18)10(26-7)16-3-15-4-8(12)13-2-14-9(4)16/h2-3,5-7,10-11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,6+,7-,10+,11?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50025158 (2-Amino-3-methyl-4-methylsulfanyl-butyric acid | C...) Show SMILES CSCC(C)C(N)C(O)=O Show InChI InChI=1S/C6H13NO2S/c1-4(3-10-2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory activity against Methionine adenosyltransferase II				J Med Chem 29: 1743-8 (1986) Article DOI: 10.1021/jm00159a030 BindingDB Entry DOI: 10.7270/Q24748V9
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367306 (CHEMBL608929) Show SMILES NC(CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O Show InChI InChI=1S/C14H23N6O15P3S/c15-5(13(23)24)1-2-39-14-19-7-10(16)17-4-18-11(7)20(14)12-9(22)8(21)6(33-12)3-32-37(28,29)35-38(30,31)34-36(25,26)27/h4-6,8-9,12,21-22H,1-3,15H2,(H,23,24)(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5?,6-,8-,9-,12?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367304 (CHEMBL610404) Show SMILES CCCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H24N5O13P3/c1-2-3-4-15-12-9-13(17-6-16-12)19(7-18-9)14-11(21)10(20)8(30-14)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H,15,16,17)(H2,22,23,24)/t8-,10-,11-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II				J Med Chem 29: 318-22 (1986) Article DOI: 10.1021/jm00153a003 BindingDB Entry DOI: 10.7270/Q2DF6RSH
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50025157 (2-Amino-2-methyl-4-methylsulfanyl-pentanoic acid |...) Show SMILES CS[C@@H](C)C[C@](C)(N)C(O)=O Show InChI InChI=1S/C7H15NO2S/c1-5(11-3)4-7(2,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory activity against M-2 Methionine adenosyltransferase II				J Med Chem 29: 1743-8 (1986) Article DOI: 10.1021/jm00159a030 BindingDB Entry DOI: 10.7270/Q24748V9
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50025156 (2-Amino-4-methylsulfanyl-pentanoic acid | CHEMBL45...) Show SMILES CSC(C)C[C@@H](N)C(O)=O Show InChI InChI=1S/C6H13NO2S/c1-4(10-2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory activity against Methionine adenosyltransferase II				J Med Chem 29: 1743-8 (1986) Article DOI: 10.1021/jm00159a030 BindingDB Entry DOI: 10.7270/Q24748V9
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559541 (CHEMBL4746939) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H16F5N5O3/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)37-23(25)26)21-18(32-34)8-9-19(30-21)36-12-24(27,28)29/h2-11,23H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559542 (CHEMBL4746079) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H15ClF3N5O2/c1-31-11-14-10-16(6-7-17(14)29-31)32-22(33)20(13-2-4-15(24)5-3-13)21-18(30-32)8-9-19(28-21)34-12-23(25,26)27/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559543 (CHEMBL4754086) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H17F4N5O3/c1-32-11-14-10-15(4-7-17(14)30-32)33-23(34)21(13-2-5-16(6-3-13)36-24(27)28)22-18(31-33)8-9-20(29-22)35-12-19(25)26/h2-11,19,24H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559544 (CHEMBL4751206) Show SMILES COc1ccc(cn1)-c1c2nc(OCC(F)F)ccc2nn(-c2ccc3nn(C)cc3c2)c1=O Show InChI InChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559545 (CHEMBL4762089) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C25H18F5N5O3/c1-34-13-15-12-16(4-7-18(15)32-34)35-23(36)21(14-2-5-17(6-3-14)38-24(26)27)22-19(33-35)8-9-20(31-22)37-11-10-25(28,29)30/h2-9,12-13,24H,10-11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559546 (CHEMBL4760483) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(SCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H16F5N5O2S/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)36-23(25)26)21-18(32-34)8-9-19(30-21)37-12-24(27,28)29/h2-11,23H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559547 (CHEMBL4754303) Show SMILES FC(F)COc1ccc2nn(-c3ccc4ncsc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1 Show InChI InChI=1S/C23H14F4N4O3S/c24-18(25)10-33-19-8-7-16-21(29-19)20(12-1-4-14(5-2-12)34-23(26)27)22(32)31(30-16)13-3-6-15-17(9-13)35-11-28-15/h1-9,11,18,23H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559548 (CHEMBL4741054) Show SMILES [2H]C([2H])([2H])Oc1n(C)nc2ccc(cc12)-n1nc2ccc(OCC(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C25H19F4N5O4/c1-33-24(36-2)16-11-14(5-8-17(16)31-33)34-23(35)21(13-3-6-15(7-4-13)38-25(28)29)22-18(32-34)9-10-20(30-22)37-12-19(26)27/h3-11,19,25H,12H2,1-2H3/i2D3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559549 (CHEMBL4786665) Show SMILES FC(F)COc1ccc2nn(-c3ccc4OCCc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1 Show InChI InChI=1S/C24H17F4N3O4/c25-19(26)12-34-20-8-6-17-22(29-20)21(13-1-4-16(5-2-13)35-24(27)28)23(32)31(30-17)15-3-7-18-14(11-15)9-10-33-18/h1-8,11,19,24H,9-10,12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559549 (CHEMBL4786665) Show SMILES FC(F)COc1ccc2nn(-c3ccc4OCCc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1 Show InChI InChI=1S/C24H17F4N3O4/c25-19(26)12-34-20-8-6-17-22(29-20)21(13-1-4-16(5-2-13)35-24(27)28)23(32)31(30-17)15-3-7-18-14(11-15)9-10-33-18/h1-8,11,19,24H,9-10,12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559548 (CHEMBL4741054) Show SMILES [2H]C([2H])([2H])Oc1n(C)nc2ccc(cc12)-n1nc2ccc(OCC(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C25H19F4N5O4/c1-33-24(36-2)16-11-14(5-8-17(16)31-33)34-23(35)21(13-3-6-15(7-4-13)38-25(28)29)22-18(32-34)9-10-20(30-22)37-12-19(26)27/h3-11,19,25H,12H2,1-2H3/i2D3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559547 (CHEMBL4754303) Show SMILES FC(F)COc1ccc2nn(-c3ccc4ncsc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1 Show InChI InChI=1S/C23H14F4N4O3S/c24-18(25)10-33-19-8-7-16-21(29-19)20(12-1-4-14(5-2-12)34-23(26)27)22(32)31(30-16)13-3-6-15-17(9-13)35-11-28-15/h1-9,11,18,23H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559546 (CHEMBL4760483) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(SCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H16F5N5O2S/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)36-23(25)26)21-18(32-34)8-9-19(30-21)37-12-24(27,28)29/h2-11,23H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559544 (CHEMBL4751206) Show SMILES COc1ccc(cn1)-c1c2nc(OCC(F)F)ccc2nn(-c2ccc3nn(C)cc3c2)c1=O Show InChI InChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559543 (CHEMBL4754086) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H17F4N5O3/c1-32-11-14-10-15(4-7-17(14)30-32)33-23(34)21(13-2-5-16(6-3-13)36-24(27)28)22-18(31-33)8-9-20(29-22)35-12-19(25)26/h2-11,19,24H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559542 (CHEMBL4746079) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H15ClF3N5O2/c1-31-11-14-10-16(6-7-17(14)29-31)32-22(33)20(13-2-4-15(24)5-3-13)21-18(30-32)8-9-19(28-21)34-12-23(25,26)27/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559541 (CHEMBL4746939) Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(OCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O Show InChI InChI=1S/C24H16F5N5O3/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)37-23(25)26)21-18(32-34)8-9-19(30-21)36-12-24(27,28)29/h2-11,23H,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559540 (CHEMBL4750527) Show SMILES CCOc1ccc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(OC)cc3)c2n1 Show InChI InChI=1S/C24H21N5O3/c1-4-32-21-12-11-20-23(25-21)22(15-5-8-18(31-3)9-6-15)24(30)29(27-20)17-7-10-19-16(13-17)14-28(2)26-19/h5-14H,4H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM50559540 (CHEMBL4750527) Show SMILES CCOc1ccc2nn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(OC)cc3)c2n1 Show InChI InChI=1S/C24H21N5O3/c1-4-32-21-12-11-20-23(25-21)22(15-5-8-18(31-3)9-6-15)24(30)29(27-20)17-7-10-19-16(13-17)14-28(2)26-19/h5-14H,4H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...				ACS Med Chem Lett 12: 180-181 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM508347 (1-(2-chlorophenyl)-7-(1,1- difluoroethyl)-4- (meth...) Show SMILES CNc1nc(=O)n(-c2ccccc2Cl)c2cc(ccc12)C(C)(F)F Show InChI InChI=1S/C17H14ClF2N3O/c1-17(19,20)10-7-8-11-14(9-10)23(16(24)22-15(11)21-2)13-6-4-3-5-12(13)18/h3-9H,1-2H3,(H,21,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
IDEAYA BIOSCIENCES, INC. US Patent					Assay Description MAT2A enzyme is incubated with a test compound in DMSO or DMSO and its substrates (L-methionine and ATP) in a microtiter plate. The enzymatic reactio...				US Patent US11046691 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM508348 (1-(3-chloropyridin-2-yl)-7-ethyl-4- (methylamino)q...) Show SMILES CCc1ccc2c(NC)nc(=O)n(-c3ncccc3Cl)c2c1 Show InChI InChI=1S/C16H15ClN4O/c1-3-10-6-7-11-13(9-10)21(16(22)20-14(11)18-2)15-12(17)5-4-8-19-15/h4-9H,3H2,1-2H3,(H,18,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
IDEAYA BIOSCIENCES, INC. US Patent					Assay Description MAT2A enzyme is incubated with a test compound in DMSO or DMSO and its substrates (L-methionine and ATP) in a microtiter plate. The enzymatic reactio...				US Patent US11046691 (2021)
					More data for this Ligand-Target Pair
S-adenosylmethionine synthase isoform type-2 (Human)	BDBM508349 (4-amino-1-(3-chloropyridin-2-yl)-7- (1,1-difluoroe...) Show SMILES CC(F)(F)c1ccc2c(N)nc(=O)n(-c3ncccc3Cl)c2c1 Show InChI InChI=1S/C15H11ClF2N4O/c1-15(17,18)8-4-5-9-11(7-8)22(14(23)21-12(9)19)13-10(16)3-2-6-20-13/h2-7H,1H3,(H2,19,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
IDEAYA BIOSCIENCES, INC. US Patent					Assay Description MAT2A enzyme is incubated with a test compound in DMSO or DMSO and its substrates (L-methionine and ATP) in a microtiter plate. The enzymatic reactio...				US Patent US11046691 (2021)
					More data for this Ligand-Target Pair

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