Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50006595   

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))	BDBM50051436 ((2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6+,7+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase				J Med Chem 39: 2347-53 (1996) Article DOI: 10.1021/jm950916u BindingDB Entry DOI: 10.7270/Q20Z72CP
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50051435 (5'-Dehydroadenosine | 5'-deoxy-5'-oxoadenosine | 9...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase				J Med Chem 39: 2347-53 (1996) Article DOI: 10.1021/jm950916u BindingDB Entry DOI: 10.7270/Q20Z72CP
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50051438 ((1R,2R,3S,4R)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C=O)[C@@H](O)[C@H]1O 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/h2-6,8-9,18-19H,1H2,(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 Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase				J Med Chem 39: 2347-53 (1996) Article DOI: 10.1021/jm950916u BindingDB Entry DOI: 10.7270/Q20Z72CP
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50051437 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](C=O)[C@@H](O)[C@H]1O 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/h2-6,8-9,18-19H,1H2,(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	Article PubMed	4.50E+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 Binding affinity of the compound towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase				J Med Chem 39: 2347-53 (1996) Article DOI: 10.1021/jm950916u BindingDB Entry DOI: 10.7270/Q20Z72CP
					More data for this Ligand-Target Pair				3D Structure (docked)