Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50000659   

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
Adenosylhomocysteinase (Mus musculus)	BDBM50008288 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...) Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50006223 (5-(6-Amino-purin-9-yl)-3-methyl-cyclopent-3-ene-1,...) Show SMILES CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:1| Show InChI InChI=1S/C11H13N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h2-4,6,8-9,17-18H,1H3,(H2,12,13,14)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Mus musculus)	BDBM50008289 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((S)-1-hydroxy...) Show SMILES C[C@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50008288 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...) Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50230014 (CHEMBL320262) Show SMILES CSCC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O2S/c1-20-3-6-2-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2,4-5,7,9-10,18-19H,3H2,1H3,(H2,13,14,15)/t7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50018500 (CHEMBL419393) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CCl)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C11H12ClN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h1,3-4,6,8-9,18-19H,2H2,(H2,13,14,15)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50230012 (CHEMBL325316) Show SMILES COCC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O3/c1-20-3-6-2-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2,4-5,7,9-10,18-19H,3H2,1H3,(H2,13,14,15)/t7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50008289 ((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((S)-1-hydroxy...) Show SMILES C[C@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3| Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50230013 (CHEMBL109444) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CF)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C11H12FN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h1,3-4,6,8-9,18-19H,2H2,(H2,13,14,15)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50230015 (CHEMBL324105) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(C=C)[C@@H](O)[C@H]1O |t:13| Show InChI InChI=1S/C12H13N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2-5,7,9-10,18-19H,1H2,(H2,13,14,15)/t7-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006223 (5-(6-Amino-purin-9-yl)-3-methyl-cyclopent-3-ene-1,...) Show SMILES CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:1| Show InChI InChI=1S/C11H13N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h2-4,6,8-9,17-18H,1H3,(H2,12,13,14)/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyo Jozo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.				J Med Chem 35: 324-31 (1992) BindingDB Entry DOI: 10.7270/Q2RX9B1R
					More data for this Ligand-Target Pair