Compile Data Set for Download or QSAR

Found 123 hits of ic50 data for polymerid = 3423   

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
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28428 ((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...) Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C16H27N7O4/c1-9-21-11-14(17)19-8-20-15(11)23(9)16-13(25)12(24)10(27-16)7-22(2)5-3-4-6-26-18/h8,10,12-13,16,24-25H,3-7,18H2,1-2H3,(H2,17,19,20)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28421 ((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...) Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28427 ((2R,3R,4S,5R)-2-(6-amino-8-hydroxy-9H-purin-9-yl)-...) Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncnc(N)c2[nH]c1=O Show InChI InChI=1S/C15H25N7O5/c1-21(4-2-3-5-26-17)6-8-10(23)11(24)14(27-8)22-13-9(20-15(22)25)12(16)18-7-19-13/h7-8,10-11,14,23-24H,2-6,17H2,1H3,(H,20,25)(H2,16,18,19)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28429 ((2R,3R,4S,5R)-2-(6-amino-8-ethyl-9H-purin-9-yl)-5-...) Show SMILES CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H29N7O4/c1-3-11-22-12-15(18)20-9-21-16(12)24(11)17-14(26)13(25)10(28-17)8-23(2)6-4-5-7-27-19/h9-10,13-14,17,25-26H,3-8,19H2,1-2H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28430 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[4-(am...) Show SMILES CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H25N7O4/c1-21(4-2-3-5-25-17)6-9-11(23)12(24)15(26-9)22-8-20-10-13(16)18-7-19-14(10)22/h7-9,11-12,15,23-24H,2-6,17H2,1H3,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28425 ((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H28N8O4/c1-19-16-22-10-13(17)20-8-21-14(10)24(16)15-12(26)11(25)9(28-15)7-23(2)5-3-4-6-27-18/h8-9,11-12,15,25-26H,3-7,18H2,1-2H3,(H,19,22)(H2,17,20,21)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28431 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[2-(am...) Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28423 ((2R,3R,4S,5R)-2-[6-amino-8-(methylamino)-9H-purin-...) Show SMILES CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H24N8O4/c1-17-14-20-8-11(15)18-6-19-12(8)22(14)13-10(24)9(23)7(26-13)5-21(2)3-4-25-16/h6-7,9-10,13,23-24H,3-5,16H2,1-2H3,(H,17,20)(H2,15,18,19)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28436 (3-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...) Show SMILES CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C15H24N8O4/c1-7-20-10-13(16)18-6-19-14(10)23(7)15-12(26)11(25)8(27-15)5-22(2)4-3-9(24)21-17/h6,8,11-12,15,25-26H,3-5,17H2,1-2H3,(H,21,24)(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28432 (3-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...) Show SMILES CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28452 ((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...) Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C13H20N6O3/c1-6-17-8-11(14)15-5-16-12(8)19(6)13-10(21)9(20)7(22-13)4-18(2)3/h5,7,9-10,13,20-21H,4H2,1-3H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28437 (3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...) Show SMILES CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H22N8O4/c1-21(3-2-8(23)20-16)4-7-10(24)11(25)14(26-7)22-6-19-9-12(15)17-5-18-13(9)22/h5-7,10-11,14,24-25H,2-4,16H2,1H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28454 (AdoMet substrate analogue, 25b | {[(2S,3S,4R,5R)-5...) Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C13H20N5O3S/c1-6-17-8-11(14)15-5-16-12(8)18(6)13-10(20)9(19)7(21-13)4-22(2)3/h5,7,9-10,13,19-20H,4H2,1-3H3,(H2,14,15,16)/q+1/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28433 (3-({[(2R,3S,4R,5R)-5-(6-amino-8-ethyl-9H-purin-9-y...) Show SMILES CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(N)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H25N7O4/c1-3-10-21-11-14(18)19-7-20-15(11)23(10)16-13(26)12(25)8(27-16)6-22(2)5-4-9(17)24/h7-8,12-13,16,25-26H,3-6H2,1-2H3,(H2,17,24)(H2,18,19,20)/t8-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28435 (3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...) Show SMILES CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N7O4/c1-20(3-2-8(15)22)4-7-10(23)11(24)14(25-7)21-6-19-9-12(16)17-5-18-13(9)21/h5-7,10-11,14,23-24H,2-4H2,1H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254958 (CHEMBL4075752) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(cc2)C#N)nc(N)n1 Show InChI InChI=1S/C18H14ClN5/c1-11-6-17(24-18(21)22-11)23-16-8-14(7-15(19)9-16)13-4-2-12(10-20)3-5-13/h2-9H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50281292 (2-amino-4-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...) Show SMILES Br.[Br-].C[S+](CCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C15H22N7O3S/c1-26(3-2-8(17)4-16)5-9-11(23)12(24)15(25-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-3,5,17H2,1H3,(H2,18,19,20)/q+1/p+1/t8?,9-,11-,12-,15?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against AdoMet-DC from Escherichia coli				Bioorg Med Chem Lett 3: 2811-2816 (1993) Article DOI: 10.1016/S0960-894X(01)80770-8 BindingDB Entry DOI: 10.7270/Q2TH8N6T
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28453 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-[(dimeth...) Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28455 (AdoMet substrate analogue, 25d | {[(2S,3S,4R,5R)-5...) Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254815 (CHEMBL4104060) Show SMILES CC(=O)c1ccc(cc1)-c1cc(Cl)cc(Nc2cc(C)nc(N)n2)c1 Show InChI InChI=1S/C19H17ClN4O/c1-11-7-18(24-19(21)22-11)23-17-9-15(8-16(20)10-17)14-5-3-13(4-6-14)12(2)25/h3-10H,1-2H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254905 (CHEMBL4094809) Show SMILES Nc1nc2CCCc2c(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C13H12Cl2N4/c14-7-4-8(15)6-9(5-7)17-12-10-2-1-3-11(10)18-13(16)19-12/h4-6H,1-3H2,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255043 (CHEMBL4073190) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc3OCOc3c2)nc(N)n1 Show InChI InChI=1S/C18H15ClN4O2/c1-10-4-17(23-18(20)21-10)22-14-6-12(5-13(19)8-14)11-2-3-15-16(7-11)25-9-24-15/h2-8H,9H2,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255044 (CHEMBL4077070) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cncs2)nc(N)n1 Show InChI InChI=1S/C14H12ClN5S/c1-8-2-13(20-14(16)18-8)19-11-4-9(3-10(15)5-11)12-6-17-7-21-12/h2-7H,1H3,(H3,16,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254955 (CHEMBL4094762) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(F)cc2)nc(N)n1 Show InChI InChI=1S/C17H14ClFN4/c1-10-6-16(23-17(20)21-10)22-15-8-12(7-13(18)9-15)11-2-4-14(19)5-3-11/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255018 (CHEMBL4079196) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(cc2)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C18H14ClF3N4/c1-10-6-16(26-17(23)24-10)25-15-8-12(7-14(19)9-15)11-2-4-13(5-3-11)18(20,21)22/h2-9H,1H3,(H3,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254902 (CHEMBL4079242) Show SMILES Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(n1)-c1ccccc1 Show InChI InChI=1S/C16H12Cl2N4/c17-11-6-12(18)8-13(7-11)20-15-9-14(21-16(19)22-15)10-4-2-1-3-5-10/h1-9H,(H3,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28438 (2-({[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-...) Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(=O)NN Show InChI InChI=1S/C14H22N8O4/c1-6-19-9-12(15)17-5-18-13(9)22(6)14-11(25)10(24)7(26-14)3-21(2)4-8(23)20-16/h5,7,10-11,14,24-25H,3-4,16H2,1-2H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254826 (CHEMBL4090615) Show SMILES Cc1cc(Nc2cc(Br)cc(OCC(F)(F)F)c2)nc(N)n1 Show InChI InChI=1S/C13H12BrF3N4O/c1-7-2-11(21-12(18)19-7)20-9-3-8(14)4-10(5-9)22-6-13(15,16)17/h2-5H,6H2,1H3,(H3,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50281293 (2-amino-5-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...) Show SMILES Br.[Br-].C[S+](CCCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H24N7O3S/c1-27(4-2-3-9(18)5-17)6-10-12(24)13(25)16(26-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-4,6,18H2,1H3,(H2,19,20,21)/q+1/p+1/t9?,10-,12-,13-,16?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated to inactivate the bacterial AdoMet-DC				Bioorg Med Chem Lett 3: 2811-2816 (1993) Article DOI: 10.1016/S0960-894X(01)80770-8 BindingDB Entry DOI: 10.7270/Q2TH8N6T
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255017 (CHEMBL4101315) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)cc2)nc(N)n1 Show InChI InChI=1S/C17H14Cl2N4/c1-10-6-16(23-17(20)21-10)22-15-8-12(7-14(19)9-15)11-2-4-13(18)5-3-11/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255009 (CHEMBL4075494) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cc3ccccc3o2)nc(N)n1 Show InChI InChI=1S/C19H15ClN4O/c1-11-6-18(24-19(21)22-11)23-15-8-13(7-14(20)10-15)17-9-12-4-2-3-5-16(12)25-17/h2-10H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254957 (CHEMBL4097210) Show SMILES Cc1ccc(cc1)-c1cc(Cl)cc(Nc2cc(C)nc(N)n2)c1 Show InChI InChI=1S/C18H17ClN4/c1-11-3-5-13(6-4-11)14-8-15(19)10-16(9-14)22-17-7-12(2)21-18(20)23-17/h3-10H,1-2H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254873 (CHEMBL4091216) Show SMILES Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2F)nc(N)n1 Show InChI InChI=1S/C11H8Cl2F2N4/c1-4-2-7(19-11(16)17-4)18-6-3-5(12)9(14)8(13)10(6)15/h2-3H,1H3,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254862 (CHEMBL4085397) Show SMILES Cc1cc(Nc2cc(Cl)c(OC(F)F)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C12H10Cl2F2N4O/c1-5-2-9(20-12(17)18-5)19-6-3-7(13)10(8(14)4-6)21-11(15)16/h2-4,11H,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254860 (CHEMBL4089063) Show SMILES Cc1cc(Nc2cc(Cl)c(C)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C12H12Cl2N4/c1-6-3-11(18-12(15)16-6)17-8-4-9(13)7(2)10(14)5-8/h3-5H,1-2H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255078 (CHEMBL4060869) Show SMILES Cc1cc(Nc2cc(Cl)c(Cl)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H9Cl3N4/c1-5-2-9(18-11(15)16-5)17-6-3-7(12)10(14)8(13)4-6/h2-4H,1H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255077 (CHEMBL4097036) Show SMILES Cc1cc(Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nc(N)n1 Show InChI InChI=1S/C19H28N4/c1-12-8-16(23-17(20)21-12)22-15-10-13(18(2,3)4)9-14(11-15)19(5,6)7/h8-11H,1-7H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255071 (CHEMBL4098044) Show SMILES CNc1nc(C)cc(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C12H12Cl2N4/c1-7-3-11(18-12(15-2)16-7)17-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H2,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28448 ((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...) Show SMILES CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C15H25N7O3/c1-8-20-10-13(17)18-7-19-14(10)22(8)15-12(24)11(23)9(25-15)6-21(2)5-3-4-16/h7,9,11-12,15,23-24H,3-6,16H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28443 ((2R,3R,4S,5R)-2-(6-amino-8-methyl-9H-purin-9-yl)-5...) Show SMILES CN(CCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12 Show InChI InChI=1S/C14H23N7O3/c1-7-19-9-12(16)17-6-18-13(9)21(7)14-11(23)10(22)8(24-14)5-20(2)4-3-15/h6,8,10-11,14,22-23H,3-5,15H2,1-2H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM28451 (3-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-d...) Show SMILES CN(CCC(=N)NO)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H22N8O4/c1-21(3-2-8(15)20-25)4-7-10(23)11(24)14(26-7)22-6-19-9-12(16)17-5-18-13(9)22/h5-7,10-11,14,23-25H,2-4H2,1H3,(H2,15,20)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254859 (CHEMBL4069538) Show SMILES Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H9Cl2FN4/c1-5-2-9(18-11(15)16-5)17-6-3-7(12)10(14)8(13)4-6/h2-4H,1H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50366314 (CHEMBL3392211 | CHEMBL607699) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#N |r| Show InChI InChI=1S/C14H19N7O3S/c15-3-7(16)1-2-25-4-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-2,4,16H2,(H2,17,18,19)/t7?,8-,10-,11-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against AdoMet-DC from Escherichia coli				Bioorg Med Chem Lett 3: 2811-2816 (1993) Article DOI: 10.1016/S0960-894X(01)80770-8 BindingDB Entry DOI: 10.7270/Q2TH8N6T
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254816 (CHEMBL4066551) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc3ccccc3c2)nc(N)n1 Show InChI InChI=1S/C21H17ClN4/c1-13-8-20(26-21(23)24-13)25-19-11-17(10-18(22)12-19)16-7-6-14-4-2-3-5-15(14)9-16/h2-12H,1H3,(H3,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254817 (CHEMBL4103347) Show SMILES Cc1cc(N)cc(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C12H11Cl2N3/c1-7-2-10(15)6-12(16-7)17-11-4-8(13)3-9(14)5-11/h2-6H,1H3,(H3,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254818 (CHEMBL4070203) Show SMILES Cc1cc(Nc2cc(Br)cc(c2)S(F)(F)(F)(F)F)nc(N)n1 Show InChI InChI=1S/C11H10BrF5N4S/c1-6-2-10(21-11(18)19-6)20-8-3-7(12)4-9(5-8)22(13,14,15,16)17/h2-5H,1H3,(H3,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254819 (CHEMBL4104760) Show SMILES Cc1cc(Nc2cccc(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H11ClN4/c1-7-5-10(16-11(13)14-7)15-9-4-2-3-8(12)6-9/h2-6H,1H3,(H3,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254820 (CHEMBL4099923) Show SMILES CN(C)c1c(Cl)cc(Nc2cc(C)nc(N)n2)cc1Cl Show InChI InChI=1S/C13H15Cl2N5/c1-7-4-11(19-13(16)17-7)18-8-5-9(14)12(20(2)3)10(15)6-8/h4-6H,1-3H3,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254821 (CHEMBL4070829) Show SMILES Cc1cc(Nc2ccc(Cl)cc2C)nc(N)n1 Show InChI InChI=1S/C12H13ClN4/c1-7-5-9(13)3-4-10(7)16-11-6-8(2)15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254822 (CHEMBL4062599) Show SMILES CN(c1cc(Cl)cc(Cl)c1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C12H12Cl2N4/c1-7-3-11(17-12(15)16-7)18(2)10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair

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