Compile Data Set for Download or QSAR

Found 16 hits of kd data for polymerid = 2246,4412,50006954   

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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.0000470	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36497 (CHEMBL191436 | DADMe-ImmA-Bn) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.000460	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) Show SMILES CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C14H21N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20H,2,4-7H2,1H3,(H2,15,17,18)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.000950	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (docked)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36496 (CHEMBL552894 | ImmA-pClPh) Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O Show InChI InChI=1S/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.00200	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (docked)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.00200	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36495 (CHEMBL554642 | ImmA-Bn) Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O Show InChI InChI=1S/C18H21N5O2S/c19-18-15-13(21-9-22-18)11(6-20-15)14-17(25)16(24)12(23-14)8-26-7-10-4-2-1-3-5-10/h1-6,9,12,14,16-17,20,23-25H,7-8H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0120	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (docked)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM36494 (CHEMBL554965 | ImmA-Et) Show SMILES CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (docked)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50170093 (2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...) Show SMILES CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0770	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (docked)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.784	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36497 (CHEMBL191436 | DADMe-ImmA-Bn) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36435 ((3R,4S)-1-[(9-Deaza-adenin-9-yl)methyl]-4-ethylthi...) Show SMILES CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O Show InChI InChI=1S/C14H21N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,16,20H,2,4-7H2,1H3,(H2,15,17,18)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36496 (CHEMBL552894 | ImmA-pClPh) Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O Show InChI InChI=1S/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36495 (CHEMBL554642 | ImmA-Bn) Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O Show InChI InChI=1S/C18H21N5O2S/c19-18-15-13(21-9-22-18)11(6-20-15)14-17(25)16(24)12(23-14)8-26-7-10-4-2-1-3-5-10/h1-6,9,12,14,16-17,20,23-25H,7-8H2,(H2,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM36494 (CHEMBL554965 | ImmA-Et) Show SMILES CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Klebsiella pneumoniae)	BDBM50170093 (2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...) Show SMILES CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	45	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair