Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'borcherding' and Initial = 'dr'   

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 (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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase				J Med Chem 31: 500-3 (1988) BindingDB Entry DOI: 10.7270/Q28P61Q3
					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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					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	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcA				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006218 ((1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006220 (3-(6-Amino-purin-9-yl)-5-vinyl-cyclopentane-1,2-di...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](C=C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H15N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h2,4-7,9-10,18-19H,1,3H2,(H2,13,14,15)/t6-,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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006221 (3-(6-Amino-purin-9-yl)-5-methyl-cyclopentane-1,2-d...) Show SMILES C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50405655 (CHEMBL147260) Show SMILES Nc1nccc2n(cnc12)C1C=C[C@@H](O)[C@H]1O |c:13| Show InChI InChI=1S/C11H12N4O2/c12-11-9-6(3-4-13-11)15(5-14-9)7-1-2-8(16)10(7)17/h1-5,7-8,10,16-17H,(H2,12,13)/t7?,8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase				J Med Chem 31: 500-3 (1988) BindingDB Entry DOI: 10.7270/Q28P61Q3
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O |c:13| Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase				J Med Chem 31: 500-3 (1988) BindingDB Entry DOI: 10.7270/Q28P61Q3
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O |c:13| Show InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023884 (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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006217 (3-(6-Amino-purin-9-yl)-5-ethyl-cyclopentane-1,2-di...) Show SMILES CC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,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	586	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50367765 (CHEMBL1794978) Show SMILES Nc1ncnc2n(C\C=C(/CO)[C@@H](O)CO)cnc12 Show InChI InChI=1S/C11H15N5O3/c12-10-9-11(14-5-13-10)16(6-15-9)2-1-7(3-17)8(19)4-18/h1,5-6,8,17-19H,2-4H2,(H2,12,13,14)/b7-1+/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006219 (3-(6-Amino-purin-9-yl)-5-methyl-cyclopentane-1,2-d...) Show SMILES C[C@@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6-,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	5.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair				3D Structure (docked)
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	9.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50006216 (3-(6-Amino-purin-9-yl)-5-phenyl-cyclopentane-1,2-d...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)c1ccccc1 Show InChI InChI=1S/C16H17N5O2/c17-15-12-16(19-7-18-15)21(8-20-12)11-6-10(13(22)14(11)23)9-4-2-1-3-5-9/h1-5,7-8,10-11,13-14,22-23H,6H2,(H2,17,18,19)/t10-,11-,13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).				J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
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
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	8.0	30
Lawrence Berkeley National Laboratory					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	30
Lawrence Berkeley National Laboratory					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	8.0	30
Lawrence Berkeley National Laboratory					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023880 (9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine | CHEMB...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1cnc2c(-[#7])ncnc12 Show InChI InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13)	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	930	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 bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023888 (5-(6-Amino-purin-9-yl)-pent-3-ene-1,2-diol | CHEMB...) Show SMILES Nc1ncnc2n(C\C=C\C(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+	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	950	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 bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50011163 (4-(6-Amino-purin-9-yl)-but-2-yn-1-ol | CHEMBL46348) Show SMILES Nc1ncnc2n(CC#CCO)cnc12 Show InChI InChI=1S/C9H9N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h5-6,15H,3-4H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+3	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 bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023883 (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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	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 bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	8.0	30
Lawrence Berkeley National Laboratory					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					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)	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)	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)	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