Compile Data Set for Download or QSAR

Found 307 hits with Last Name = 'borchardt' and Initial = 'rt'   

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 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))	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368890 (CHEMBL1790792) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCCc1scnc1C Show InChI InChI=1S/C44H68N6O6S3/c1-6-27(4)37(43(55)45-21-20-33-28(5)46-25-59-33)49-42(54)36(26(2)3)40(52)39(51)31(23-29-15-9-7-10-16-29)47-41(53)30-17-12-13-18-34(30)57-22-14-8-11-19-35-38-32(24-58-35)48-44(56)50-38/h12-13,17-18,25-27,29,31-32,35-40,51-52H,6-11,14-16,19-24H2,1-5H3,(H,45,55)(H,47,53)(H,49,54)(H2,48,50,56)/t27-,31+,32?,35+,36-,37+,38?,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50367250 (3-DEAZAARISTEROMYCIN A | CHEMBL268272) Show SMILES Nc1nccc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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 S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368891 (CHEMBL1790796) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H66N6O7S/c1-5-28(4)37(43(55)46-25-30-18-13-14-22-45-30)49-42(54)36(27(2)3)40(52)39(51)32(24-29-16-8-6-9-17-29)47-41(53)31-19-11-12-20-34(31)57-23-15-7-10-21-35-38-33(26-58-35)48-44(56)50-38/h11-14,18-20,22,27-29,32-33,35-40,51-52H,5-10,15-17,21,23-26H2,1-4H3,(H,46,55)(H,47,53)(H,49,54)(H2,48,50,56)/t28-,32+,33-,35+,36-,37+,38-,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					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)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368893 (CHEMBL1790794) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@H]12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C43H71N7O7S/c1-5-28(4)37(42(56)46-25-30-18-13-15-22-44-30)49-41(55)36(27(2)3)40(54)39(53)31(24-29-16-8-6-9-17-29)47-35(52)21-10-7-14-23-45-34(51)20-12-11-19-33-38-32(26-58-33)48-43(57)50-38/h13,15,18,22,27-29,31-33,36-40,53-54H,5-12,14,16-17,19-21,23-26H2,1-4H3,(H,45,51)(H,46,56)(H,47,52)(H,49,55)(H2,48,50,57)/t28-,31+,32?,33+,36-,37+,38+,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					More data for this Ligand-Target Pair
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))	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	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method				J Med Chem 40: 1608-18 (1997) Article DOI: 10.1021/jm960828p BindingDB Entry DOI: 10.7270/Q2PR7WPS
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280299 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase				Bioorg Med Chem Lett 2: 1741-1744 (1992) Article DOI: 10.1016/S0960-894X(00)80467-9 BindingDB Entry DOI: 10.7270/Q21Z44B7
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase				J Med Chem 36: 883-7 (1993) BindingDB Entry DOI: 10.7270/Q2HM593F
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50046747 (2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@H](O)[C@@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase				J Med Chem 36: 883-7 (1993) BindingDB Entry DOI: 10.7270/Q2HM593F
					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	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant.				J Med Chem 39: 4162-6 (1996) Article DOI: 10.1021/jm960313y BindingDB Entry DOI: 10.7270/Q2DN45QW
					More data for this Ligand-Target Pair
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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells				Pharm Res 20: 161-8 (2003) Article DOI: 10.1023/a:1022359300826 BindingDB Entry DOI: 10.7270/Q2BP05N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280301 ((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase				Bioorg Med Chem Lett 2: 1741-1744 (1992) Article DOI: 10.1016/S0960-894X(00)80467-9 BindingDB Entry DOI: 10.7270/Q21Z44B7
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50046748 (2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@H](O)[C@@H]1O Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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 against recombinant rat liver S-adenosyl-homocysteine hydrolase				J Med Chem 36: 883-7 (1993) BindingDB Entry DOI: 10.7270/Q2HM593F
					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))	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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method				J Med Chem 40: 1608-18 (1997) Article DOI: 10.1021/jm960828p BindingDB Entry DOI: 10.7270/Q2PR7WPS
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	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 GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase				J Med Chem 36: 883-7 (1993) BindingDB Entry DOI: 10.7270/Q2HM593F
					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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368889 (CHEMBL1790790) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@H]12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C37H60N6O6S/c1-5-23(4)31(36(48)39-20-25-15-11-12-18-38-25)42-35(47)30(22(2)3)34(46)33(45)26(19-24-13-7-6-8-14-24)40-29(44)17-10-9-16-28-32-27(21-50-28)41-37(49)43-32/h11-12,15,18,22-24,26-28,30-34,45-46H,5-10,13-14,16-17,19-21H2,1-4H3,(H,39,48)(H,40,44)(H,42,47)(H2,41,43,49)/t23-,26+,27?,28+,30-,31+,32+,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368892 (CHEMBL1790797) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H66N6O6S2/c1-5-28(4)37(43(55)46-25-30-18-13-14-22-45-30)49-42(54)36(27(2)3)40(52)39(51)32(24-29-16-8-6-9-17-29)47-41(53)31-19-11-12-20-34(31)57-23-15-7-10-21-35-38-33(26-58-35)48-44(56)50-38/h11-14,18-20,22,27-29,32-33,35-40,51-52H,5-10,15-17,21,23-26H2,1-4H3,(H,46,55)(H,47,53)(H,49,54)(H2,48,50,56)/t28-,32+,33?,35+,36-,37+,38?,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280300 ((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C/F)[C@@H](O)[C@H]1O 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/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2+/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase				Bioorg Med Chem Lett 2: 1741-1744 (1992) Article DOI: 10.1016/S0960-894X(00)80467-9 BindingDB Entry DOI: 10.7270/Q21Z44B7
					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))	BDBM50369258 (CHEMBL606276) Show SMILES CO\N=C\[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-20-16-2-5-7(18)8(19)11(21-5)17-4-15-6-9(12)13-3-14-10(6)17/h2-5,7-8,11,18-19H,1H3,(H2,12,13,14)/b16-2+/t5-,7-,8-,11?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method				J Med Chem 40: 1608-18 (1997) Article DOI: 10.1021/jm960828p BindingDB Entry DOI: 10.7270/Q2PR7WPS
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50368896 (CHEMBL608056) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=C\I)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H12IN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase				J Med Chem 37: 3579-87 (1994) BindingDB Entry DOI: 10.7270/Q2BK1D0X
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368887 (CHEMBL1790791) Show SMILES CC[C@@H](C)[C@@H](CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)NC12)NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCOc1ccccc1 Show InChI InChI=1S/C46H69N5O8S/c1-5-30(4)35(27-47-39(52)23-15-14-22-38-41-36(28-60-38)50-46(57)51-41)49-45(56)40(29(2)3)43(54)42(53)34(26-31-16-8-6-9-17-31)48-44(55)33-20-12-13-21-37(33)59-25-24-58-32-18-10-7-11-19-32/h7,10-13,18-21,29-31,34-36,38,40-43,53-54H,5-6,8-9,14-17,22-28H2,1-4H3,(H,47,52)(H,48,55)(H,49,56)(H2,50,51,57)/t30-,34+,35-,36+,38+,40-,41?,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50369257 (CHEMBL605902) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=N\OCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O4/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(27-17)6-22-26-7-10-4-2-1-3-5-10/h1-6,8-9,11,13-14,17,24-25H,7H2,(H2,18,19,20)/b22-6+/t11-,13-,14-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method				J Med Chem 40: 1608-18 (1997) Article DOI: 10.1021/jm960828p BindingDB Entry DOI: 10.7270/Q2PR7WPS
					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	PubMed	110	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 S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
					More data for this Ligand-Target Pair				3D Structure (docked)
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))	BDBM50407233 (CHEMBL2092790) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\Cl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H12ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11-/m1/s1	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
Brigham Young University Curated by ChEMBL					Assay Description Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase				J Med Chem 37: 3579-87 (1994) BindingDB Entry DOI: 10.7270/Q2BK1D0X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50369255 (CHEMBL605900) Show SMILES CCO\N=C\[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N6O4/c1-2-21-17-3-6-8(19)9(20)12(22-6)18-5-16-7-10(13)14-4-15-11(7)18/h3-6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/b17-3+/t6-,8-,9-,12?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method				J Med Chem 40: 1608-18 (1997) Article DOI: 10.1021/jm960828p BindingDB Entry DOI: 10.7270/Q2PR7WPS
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50280298 ((1R,2S,3R)-3-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C\C(=C\F)[C@@H](O)[C@H]1O 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/h2-4,6,8-9,18-19H,1H2,(H2,13,14,15)/b5-2-/t6-,8-,9+/m1/s1	PDB MMDB Reactome pathway 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 Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase				Bioorg Med Chem Lett 2: 1741-1744 (1992) Article DOI: 10.1016/S0960-894X(00)80467-9 BindingDB Entry DOI: 10.7270/Q21Z44B7
					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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368888 (CHEMBL1790793) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCCc1scnc1C Show InChI InChI=1S/C37H62N6O6S2/c1-6-22(4)31(36(48)38-17-16-27-23(5)39-20-51-27)42-35(47)30(21(2)3)34(46)33(45)25(18-24-12-8-7-9-13-24)40-29(44)15-11-10-14-28-32-26(19-50-28)41-37(49)43-32/h20-22,24-26,28,30-34,45-46H,6-19H2,1-5H3,(H,38,48)(H,40,44)(H,42,47)(H2,41,43,49)/t22-,25+,26?,28+,30-,31+,32?,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50407232 (CHEMBL2092789) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](\C=C\Br)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H12BrN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase				J Med Chem 37: 3579-87 (1994) BindingDB Entry DOI: 10.7270/Q2BK1D0X
					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
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					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))	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
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50139894 (((S)-2-Amino-3-phenyl-propionylamino)-acetic acid ...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tromsø Curated by ChEMBL					Assay Description Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]-Gly-Sar uptake				J Med Chem 47: 1060-9 (2004) Article DOI: 10.1021/jm031022+ BindingDB Entry DOI: 10.7270/Q2DF6QMV
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080520 (3-Fluoromethyl-7-iodo-1,2,3,4-tetrahydro-isoquinol...) Show SMILES FCC1Cc2ccc(I)cc2CN1 Show InChI InChI=1S/C10H11FIN/c11-5-10-4-7-1-2-9(12)3-8(7)6-13-10/h1-3,10,13H,4-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Affinity for bovine Phenylethanolamine N-Methyltransferase				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM13014 (7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...) Show SMILES Clc1ccc2CCNCc2c1Cl Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 307 total )  |  Next  |  Last  >>

Jump to: