Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Prunasin hydrolase'   

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
Prunasin hydrolase (Prunus dulcis)	BDBM85295 (Glucosidase inhibitor, 6b) Show SMILES COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F |r| Show InChI InChI=1S/C14H18F2O7/c1-21-8-4-6(13(15)16)2-3-7(8)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		6.00E+4	-25.1	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85296 (Glucosidase inhibitor, 6c) Show SMILES CCOc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F |r| Show InChI InChI=1S/C15H20F2O7/c1-2-22-9-5-7(14(16)17)3-4-8(9)23-15-13(21)12(20)11(19)10(6-18)24-15/h3-5,10-15,18-21H,2,6H2,1H3/t10-,11-,12+,13-,15-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.00E+5	-23.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85300 (Glucosidase inhibitor, 11) Show SMILES COc1cc(CF)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19FO7/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-14,16-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		8.00E+5	-18.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85299 (Glucosidase inhibitor, 6f) Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c1)C(F)F |r| Show InChI InChI=1S/C14H18F2O7/c1-21-6-2-3-8(7(4-6)13(15)16)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		9.00E+5	-18.1	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85294 (Glucosidase inhibitor, 6a) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H16F2O6/c14-12(15)6-1-3-7(4-2-6)20-13-11(19)10(18)9(17)8(5-16)21-13/h1-4,8-13,16-19H,5H2/t8-,9-,10+,11-,13-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.70E+6	-16.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85297 (Glucosidase inhibitor, 6d) Show SMILES COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F |r| Show InChI InChI=1S/C15H20F2O8/c1-22-7-3-6(14(16)17)4-8(23-2)13(7)25-15-12(21)11(20)10(19)9(5-18)24-15/h3-4,9-12,14-15,18-21H,5H2,1-2H3/t9-,10-,11+,12-,15+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.90E+6	-16.2	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis)	BDBM85298 (Glucosidase inhibitor, 6e) Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2C(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H16F2O6/c14-12(15)6-3-1-2-4-7(6)20-13-11(19)10(18)9(17)8(5-16)21-13/h1-4,8-13,16-19H,5H2/t8-,9-,10+,11-,13-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		3.70E+6	-14.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Merrell Dow Research Institute					Assay Description The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...				Bioorg Chem 18: 330-344 (1990) BindingDB Entry DOI: 10.7270/Q20R9MZM
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108222 (2-[3-(4-cyclohexylphenyl)propyl]-5-(hydroxymethyl)...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12 Show InChI InChI=1S/C23H32N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h9-13,16,19-22,26-29H,1-8,14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108223 (2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12 Show InChI InChI=1S/C17H21FN2O4/c18-11-6-4-10(5-7-11)2-1-3-12-8-20-13(9-21)14(22)15(23)16(24)17(20)19-12/h4-8,13-16,21-24H,1-3,9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108221 (5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12 Show InChI InChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108219 (5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]- 5H...) Show SMILES Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108220 (5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]- 5...) Show SMILES COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108217 (2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...) Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108218 (5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...) Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12 Show InChI InChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108225 (2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5- (hydr...) Show SMILES CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM50156357 (2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...) Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.59E+4	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair