Compile Data Set for Download or QSAR

Found 20 hits of ic50 data for polymerid = 50000561,50005075   

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
Adenosylhomocysteinase (Mus musculus)	BDBM50006222 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13| Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50373101 (CHEMBL405186) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H14FN5O3/c12-11-15-9(13)6-10(16-11)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H2,13,15,16)/t4-,5-,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50373100 (CHEMBL262063) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1=C Show InChI InChI=1S/C12H15N5O3/c1-5-6(2-18)9(19)10(20)8(5)17-4-16-7-11(13)14-3-15-12(7)17/h3-4,6,8-10,18-20H,1-2H2,(H2,13,14,15)/t6-,8+,9+,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50373102 (CHEMBL261619) Show SMILES Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023889 (5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-pent-3-ene-...) Show SMILES Nc1nccc2n(C\C=C/[C@@H](O)CO)cnc12 Show InChI InChI=1S/C11H14N4O2/c12-11-10-9(3-4-13-11)15(7-14-10)5-1-2-8(17)6-16/h1-4,7-8,16-17H,5-6H2,(H2,12,13)/b2-1-/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023879 (2-[2-(6-Amino-purin-9-yl)-ethylidene]-propane-1,3-...) Show SMILES [#7]-c1ncnc2n(-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])cnc12 Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)2-1-7(3-16)4-17/h1,5-6,16-17H,2-4H2,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023882 (5-(6-Amino-purin-9-yl)-pent-3-ene-1,2-diol | CHEMB...) Show SMILES Nc1ncnc2n(C\C=C/[C@@H](O)CO)cnc12 Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-2-7(17)4-16/h1-2,5-7,16-17H,3-4H2,(H2,11,12,13)/b2-1-/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023886 (2-[2-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-ethylide...) Show SMILES [#7]-c1nccc2n(-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])cnc12 Show InChI InChI=1S/C11H14N4O2/c12-11-10-9(1-3-13-11)15(7-14-10)4-2-8(5-16)6-17/h1-3,7,16-17H,4-6H2,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50011148 ((Z)-4-(6-Amino-purin-9-yl)-but-2-en-1-ol | 4-(6-Am...) Show SMILES Nc1ncnc2n(C\C=C/CO)cnc12 Show InChI InChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023887 (4-(6-Amino-purin-9-yl)-2-methyl-but-2-en-1-ol | CH...) Show SMILES C\C(CO)=C\Cn1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023877 (4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-but-2-en-1-...) Show SMILES Nc1nccc2n(C\C=C/CO)cnc12 Show InChI InChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50023885 (4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-but-2-yn-1-...) Show SMILES Nc1nccc2n(CC#CCO)cnc12 Show InChI InChI=1S/C10H10N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h3-4,7,15H,5-6H2,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50011180 (4-(6-Amino-purin-9-yl)-but-2-en-1-ol | CHEMBL49917) Show SMILES Nc1ncnc2n(C\C=C\CO)cnc12 Show InChI InChI=1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50408389 (CHEMBL2051757) Show SMILES Nc1ncnc2n(ccc12)[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells				J Med Chem 40: 622-4 (1997) Article DOI: 10.1021/jm9605039 BindingDB Entry DOI: 10.7270/Q2FF3RGN
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50408388 (CHEMBL2051967) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells				J Med Chem 40: 622-4 (1997) Article DOI: 10.1021/jm9605039 BindingDB Entry DOI: 10.7270/Q2FF3RGN
					More data for this Ligand-Target Pair