Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'shin' and Initial = 'ys'   

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
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109593 (2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...) Show SMILES OC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279954 (3-(3-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1cccc(F)c1 Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,14H,4,6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279947 (3-(4-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1ccc(F)cc1 Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-7(2-4-9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279958 (3-(2-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1ccccc1F Show InChI InChI=1S/C10H11FO2S/c11-9-4-2-1-3-7(9)5-8(6-14)10(12)13/h1-4,8,14H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279955 (2-Mercaptomethyl-3-p-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C11H14O2S/c1-8-2-4-9(5-3-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279956 (2-Mercaptomethyl-3-o-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1ccccc1CC(CS)C(O)=O Show InChI InChI=1S/C11H14O2S/c1-8-4-2-3-5-9(8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279953 (2-Mercaptomethyl-3-m-tolyl-propionic acid | CHEMBL...) Show SMILES Cc1cccc(CC(CS)C(O)=O)c1 Show InChI InChI=1S/C11H14O2S/c1-8-3-2-4-9(5-8)6-10(7-14)11(12)13/h2-5,10,14H,6-7H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279949 (2-Mercaptomethyl-3-naphthalen-2-yl-propionic acid ...) Show SMILES OC(=O)C(CS)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C14H14O2S/c15-14(16)13(9-17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,17H,8-9H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279945 (3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-propionic...) Show SMILES OC(=O)C(CS)Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C10H10F2O2S/c11-8-2-1-6(4-9(8)12)3-7(5-15)10(13)14/h1-2,4,7,15H,3,5H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279950 (3-(2,3-Dimethyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES Cc1cccc(CC(CS)C(O)=O)c1C Show InChI InChI=1S/C12H16O2S/c1-8-4-3-5-10(9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279957 (2-Mercaptomethyl-3-naphthalen-1-yl-propionic acid ...) Show SMILES OC(=O)C(CS)Cc1cccc2ccccc12 Show InChI InChI=1S/C14H14O2S/c15-14(16)12(9-17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,17H,8-9H2,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279952 (3-(3,4-Dimethyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES Cc1ccc(CC(CS)C(O)=O)cc1C Show InChI InChI=1S/C12H16O2S/c1-8-3-4-10(5-9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279946 (2-Mercaptomethyl-3-(3,4,5-trifluoro-phenyl)-propio...) Show SMILES OC(=O)C(CS)Cc1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C10H9F3O2S/c11-7-2-5(3-8(12)9(7)13)1-6(4-16)10(14)15/h2-3,6,16H,1,4H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279951 (2-Mercaptomethyl-3-pentafluorophenyl-propionic aci...) Show SMILES OC(=O)C(CS)Cc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C10H7F5O2S/c11-5-4(1-3(2-18)10(16)17)6(12)8(14)9(15)7(5)13/h3,18H,1-2H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50109602 (3-Cyclohexyl-2-mercaptomethyl-propionic acid | CHE...) Show SMILES OC(=O)C(CS)CC1CCCCC1 Show InChI InChI=1S/C10H18O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h8-9,13H,1-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279959 (3-(4-Isopropyl-phenyl)-2-mercaptomethyl-propionic ...) Show SMILES CC(C)c1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C13H18O2S/c1-9(2)11-5-3-10(4-6-11)7-12(8-16)13(14)15/h3-6,9,12,16H,7-8H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50279948 (3-(4-tert-Butyl-phenyl)-2-mercaptomethyl-propionic...) Show SMILES CC(C)(C)c1ccc(CC(CS)C(O)=O)cc1 Show InChI InChI=1S/C14H20O2S/c1-14(2,3)12-6-4-10(5-7-12)8-11(9-17)13(15)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate				Bioorg Med Chem Lett 1: 317-322 (1991) Article DOI: 10.1016/S0960-894X(01)80816-7 BindingDB Entry DOI: 10.7270/Q2VH5NR5
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50537761 (CHEMBL4638533) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CCO)[C@H]1F |r| Show InChI InChI=1S/C12H16FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-6,8-10,19-21H,1-2H2,(H2,14,15,16)/t5-,6+,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50537760 (CHEMBL4635734) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CCO)[C@H]1F |r| Show InChI InChI=1S/C13H18FN5O3/c1-15-12-8-13(17-4-16-12)19(5-18-8)9-7(14)6(2-3-20)10(21)11(9)22/h4-7,9-11,20-22H,2-3H2,1H3,(H,15,16,17)/t6-,7+,9+,10+,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50405728 (CHEMBL2115462) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@H]1F |r| Show InChI InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5+,7+,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	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50405728 (CHEMBL2115462) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@H]1F |r| Show InChI InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5+,7+,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	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515221 (CHEMBL4538845) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F |r| Show InChI InChI=1S/C12H15F2N5O3/c1-15-10-6-11(17-3-16-10)19(4-18-6)9-8(22)7(21)5(2-20)12(9,13)14/h3-5,7-9,20-22H,2H2,1H3,(H,15,16,17)/t5-,7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515220 (CHEMBL4544781) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F |r| Show InChI InChI=1S/C11H13F2N5O3/c12-11(13)4(1-19)6(20)7(21)8(11)18-3-17-5-9(14)15-2-16-10(5)18/h2-4,6-8,19-21H,1H2,(H2,14,15,16)/t4-,6-,7-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515220 (CHEMBL4544781) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F |r| Show InChI InChI=1S/C11H13F2N5O3/c12-11(13)4(1-19)6(20)7(21)8(11)18-3-17-5-9(14)15-2-16-10(5)18/h2-4,6-8,19-21H,1H2,(H2,14,15,16)/t4-,6-,7-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50537763 (CHEMBL4644901) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CCO)C1(F)F |r| Show InChI InChI=1S/C12H15F2N5O3/c13-12(14)5(1-2-20)7(21)8(22)9(12)19-4-18-6-10(15)16-3-17-11(6)19/h3-5,7-9,20-22H,1-2H2,(H2,15,16,17)/t5-,7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50537764 (CHEMBL4637324) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CCO)C1(F)F |r| Show InChI InChI=1S/C13H17F2N5O3/c1-16-11-7-12(18-4-17-11)20(5-19-7)10-9(23)8(22)6(2-3-21)13(10,14)15/h4-6,8-10,21-23H,2-3H2,1H3,(H,16,17,18)/t6-,8-,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515227 (CHEMBL4465968) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@H]1F |r| Show InChI InChI=1S/C12H16FN5O3/c1-14-11-7-12(16-3-15-11)18(4-17-7)8-6(13)5(2-19)9(20)10(8)21/h3-6,8-10,19-21H,2H2,1H3,(H,14,15,16)/t5-,6+,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50504578 (CHEMBL4526734) Show SMILES CC(C)C(=O)c1c(Nc2ccc(F)c(F)c2F)[nH]c2c(F)cc(F)cc2c1=O Show InChI InChI=1S/C19H13F5N2O2/c1-7(2)17(27)13-18(28)9-5-8(20)6-11(22)16(9)26-19(13)25-12-4-3-10(21)14(23)15(12)24/h3-7H,1-2H3,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126727 BindingDB Entry DOI: 10.7270/Q23J3H7J
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50405727 (CHEMBL2115031) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@@H]1F |r| Show InChI InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5-,7+,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	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515222 (CHEMBL4589829) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)C1(F)F |r| Show InChI InChI=1S/C10H12F2N2O5/c11-10(12)4(3-15)6(17)7(18)8(10)14-2-1-5(16)13-9(14)19/h1-2,4,6-8,15,17-18H,3H2,(H,13,16,19)/t4-,6-,7-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515223 (CHEMBL4522602) Show SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2cnc3c(N)ncnc23)C1(F)F)Oc1ccccc1 |r| Show InChI InChI=1S/C23H29F2N6O7P/c1-12(2)37-22(34)13(3)30-39(35,38-14-7-5-4-6-8-14)36-9-15-17(32)18(33)19(23(15,24)25)31-11-29-16-20(26)27-10-28-21(16)31/h4-8,10-13,15,17-19,32-33H,9H2,1-3H3,(H,30,35)(H2,26,27,28)/t13-,15+,17+,18+,19-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515224 (CHEMBL4473818) Show SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]1F)n1ccc(=O)[nH]c1=O)Oc1ccccc1 |r| Show InChI InChI=1S/C22H29FN3O9P/c1-12(2)34-21(30)13(3)25-36(32,35-14-7-5-4-6-8-14)33-11-15-17(23)18(20(29)19(15)28)26-10-9-16(27)24-22(26)31/h4-10,12-13,15,17-20,28-29H,11H2,1-3H3,(H,25,32)(H,24,27,31)/t13-,15-,17+,18+,19+,20-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613929 (CHEMBL5270848) Show SMILES OC(=O)c1c(Nc2cccc(F)c2)[nH]c2cc(Cl)ccc2c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50537762 (CHEMBL4640283) Show SMILES OCC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]1F)n1cnc2c(O)ncnc12 |r| Show InChI InChI=1S/C12H15FN4O4/c13-6-5(1-2-18)9(19)10(20)8(6)17-4-16-7-11(17)14-3-15-12(7)21/h3-6,8-10,18-20H,1-2H2,(H,14,15,21)/t5-,6+,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111956 BindingDB Entry DOI: 10.7270/Q24F1V8N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515219 (CHEMBL4456225) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13FN2O5/c11-6-4(3-14)8(16)9(17)7(6)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7+,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515228 (CHEMBL4591427) Show SMILES Nc1ccn([C@H]2[C@H](O)[C@H](O)[C@@H](CO)[C@H]2F)c(=O)n1 |r| Show InChI InChI=1S/C10H14FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7+,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515218 (CHEMBL4538994) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13FN2O5/c11-6-4(3-14)8(16)9(17)7(6)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6-,7+,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515226 (CHEMBL4476535) Show SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)C1(F)F)Oc1ccccc1 |r| Show InChI InChI=1S/C22H28F2N3O9P/c1-12(2)35-20(31)13(3)26-37(33,36-14-7-5-4-6-8-14)34-11-15-17(29)18(30)19(22(15,23)24)27-10-9-16(28)25-21(27)32/h4-10,12-13,15,17-19,29-30H,11H2,1-3H3,(H,26,33)(H,25,28,32)/t13-,15+,17+,18+,19-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50515225 (CHEMBL4464364) Show SMILES Nc1ccn([C@H]2[C@H](O)[C@H](O)[C@@H](CO)C2(F)F)c(=O)n1 |r| Show InChI InChI=1S/C10H13F2N3O4/c11-10(12)4(3-16)6(17)7(18)8(10)15-2-1-5(13)14-9(15)19/h1-2,4,6-8,16-18H,3H2,(H2,13,14,19)/t4-,6-,7-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515218 (CHEMBL4538994) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13FN2O5/c11-6-4(3-14)8(16)9(17)7(6)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6-,7+,8+,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515227 (CHEMBL4465968) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@H]1F |r| Show InChI InChI=1S/C12H16FN5O3/c1-14-11-7-12(16-3-15-11)18(4-17-7)8-6(13)5(2-19)9(20)10(8)21/h3-6,8-10,19-21H,2H2,1H3,(H,14,15,16)/t5-,6+,8+,9+,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515223 (CHEMBL4522602) Show SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2cnc3c(N)ncnc23)C1(F)F)Oc1ccccc1 |r| Show InChI InChI=1S/C23H29F2N6O7P/c1-12(2)37-22(34)13(3)30-39(35,38-14-7-5-4-6-8-14)36-9-15-17(32)18(33)19(23(15,24)25)31-11-29-16-20(26)27-10-28-21(16)31/h4-8,10-13,15,17-19,32-33H,9H2,1-3H3,(H,30,35)(H2,26,27,28)/t13-,15+,17+,18+,19-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515220 (CHEMBL4544781) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F |r| Show InChI InChI=1S/C11H13F2N5O3/c12-11(13)4(1-19)6(20)7(21)8(11)18-3-17-5-9(14)15-2-16-10(5)18/h2-4,6-8,19-21H,1H2,(H2,14,15,16)/t4-,6-,7-,8+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515222 (CHEMBL4589829) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)C1(F)F |r| Show InChI InChI=1S/C10H12F2N2O5/c11-10(12)4(3-15)6(17)7(18)8(10)14-2-1-5(16)13-9(14)19/h1-2,4,6-8,15,17-18H,3H2,(H,13,16,19)/t4-,6-,7-,8+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	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 NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515226 (CHEMBL4476535) Show SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)C1(F)F)Oc1ccccc1 |r| Show InChI InChI=1S/C22H28F2N3O9P/c1-12(2)35-20(31)13(3)26-37(33,36-14-7-5-4-6-8-14)34-11-15-17(29)18(30)19(22(15,23)24)27-10-9-16(28)25-21(27)32/h4-10,12-13,15,17-19,29-30H,11H2,1-3H3,(H,26,33)(H,25,28,32)/t13-,15+,17+,18+,19-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515221 (CHEMBL4538845) Show SMILES CNc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F |r| Show InChI InChI=1S/C12H15F2N5O3/c1-15-10-6-11(17-3-16-10)19(4-18-6)9-8(22)7(21)5(2-20)12(9,13)14/h3-5,7-9,20-22H,2H2,1H3,(H,15,16,17)/t5-,7-,8-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50405727 (CHEMBL2115031) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@@H]1F |r| Show InChI InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5-,7+,8+,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	BDBM50515219 (CHEMBL4456225) Show SMILES OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13FN2O5/c11-6-4(3-14)8(16)9(17)7(6)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7+,8+,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781 BindingDB Entry DOI: 10.7270/Q25Q50GK
					More data for this Ligand-Target Pair

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