Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'khan' and Initial = 'ms'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110170 (Ethyl 4-[3-(3,4-dimethoxybenzoyl)thioureido]benzoa...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C19H20N2O5S/c1-4-26-18(23)12-5-8-14(9-6-12)20-19(27)21-17(22)13-7-10-15(24-2)16(11-13)25-3/h5-11H,4H2,1-3H3,(H2,20,21,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561933 (CHEMBL4788305) Show SMILES CN1C(=O)C2(c3cc(OC(F)(F)F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561936 (CHEMBL4741833) Show SMILES CN1C(=O)C2(c3ccccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:22| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110169 (Ethyl 4-[3-(4-methoxybenzoyl)thioureido]benzoate (...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-3-24-17(22)13-4-8-14(9-5-13)19-18(25)20-16(21)12-6-10-15(23-2)11-7-12/h4-11H,3H2,1-2H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110165 (Ethyl 4-[3-(3-chlorobenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C17H15ClN2O3S/c1-2-23-16(22)11-6-8-14(9-7-11)19-17(24)20-15(21)12-4-3-5-13(18)10-12/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561932 (CHEMBL4761451) Show SMILES CN1C(=O)C2(c3cc(F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110166 (Ethyl 4-[3-(2,4-dichlorobenzoyl)thioureido]benzoat...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)13-8-5-11(18)9-14(13)19/h3-9H,2H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003958 (CHEMBL3236084) Show SMILES COc1cc(NC(=O)\C=C\c2ccccc2OCc2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C25H25NO5/c1-28-22-15-20(16-23(29-2)25(22)30-3)26-24(27)14-13-19-11-7-8-12-21(19)31-17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3,(H,26,27)/b14-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561938 (CHEMBL4746633) Show SMILES Cc1nn(-c2ccc(C)cc2)c2nc(c(Cl)cc12)-c1cc(C)ccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes using AMP as substrate preincubated for 10 mins followed by sub...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110171 (Ethyl 4-[3-(2-bromobenzoyl)thioureido]benzoate (1h...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H15BrN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561930 (CHEMBL4760778) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110172 (Ethyl 4-[3-(3-methoxybenzoyl)thioureido]benzoate (...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-3-24-17(22)12-8-10-13(11-9-12)19-18(25)20-16(21)14-6-4-5-7-15(14)23-2/h4-11H,3H2,1-2H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110164 (Ethyl 4-(3-benzoylthioureido) benzoate (1a)) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-22-16(21)13-8-10-14(11-9-13)18-17(23)19-15(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,18,19,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110167 (Ethyl 4-[3-(4-methylbenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C18H18N2O3S/c1-3-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561934 (CHEMBL4753669) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(Cl)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561929 (CHEMBL4797703) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2ccccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110173 (Ethyl 4-[3-(2-fluorobenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C17H15FN2O3S/c1-2-23-16(22)11-7-9-12(10-8-11)19-17(24)20-15(21)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110168 (Ethyl 4-[3-(3-methylbenzoyl)thioureido]benzoate (1...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C18H18N2O3S/c1-3-23-17(22)13-7-9-15(10-8-13)19-18(24)20-16(21)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H2,19,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003950 (CHEMBL3236082) Show SMILES COc1cc(NC(=O)\C=C\c2cccc(OC(C)=O)c2)cc(OC)c1OC Show InChI InChI=1S/C20H21NO6/c1-13(22)27-16-7-5-6-14(10-16)8-9-19(23)21-15-11-17(24-2)20(26-4)18(12-15)25-3/h5-12H,1-4H3,(H,21,23)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003953 (CHEMBL3236097) Show SMILES COc1cc(NC(=O)\C=C\c2c(F)cccc2Cl)cc(OC)c1OC Show InChI InChI=1S/C18H17ClFNO4/c1-23-15-9-11(10-16(24-2)18(15)25-3)21-17(22)8-7-12-13(19)5-4-6-14(12)20/h4-10H,1-3H3,(H,21,22)/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003960 (CHEMBL3236088) Show SMILES COc1cc(NC(=O)\C=C\c2ccccc2OCC=C)cc(OC)c1OC Show InChI InChI=1S/C21H23NO5/c1-5-12-27-17-9-7-6-8-15(17)10-11-20(23)22-16-13-18(24-2)21(26-4)19(14-16)25-3/h5-11,13-14H,1,12H2,2-4H3,(H,22,23)/b11-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561937 (CHEMBL4780721) Show SMILES CN1C(=O)C2(c3cc(Cl)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003957 (CHEMBL3236083) Show SMILES COc1cc(NC(=O)\C=C\c2ccc(OCc3ccccc3)cc2O)cc(OC)c1OC Show InChI InChI=1S/C25H25NO6/c1-29-22-13-19(14-23(30-2)25(22)31-3)26-24(28)12-10-18-9-11-20(15-21(18)27)32-16-17-7-5-4-6-8-17/h4-15,27H,16H2,1-3H3,(H,26,28)/b12-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561935 (CHEMBL4761355) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(ccc12)[N+]([O-])=O |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00053a BindingDB Entry DOI: 10.7270/Q2222ZR4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003961 (CHEMBL3236090) Show SMILES COc1cc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)cc(OC)c1OC Show InChI InChI=1S/C18H18N2O6/c1-24-15-10-13(11-16(25-2)18(15)26-3)19-17(21)8-7-12-5-4-6-14(9-12)20(22)23/h4-11H,1-3H3,(H,19,21)/b8-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561933 (CHEMBL4788305) Show SMILES CN1C(=O)C2(c3cc(OC(F)(F)F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:27| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003964 (CHEMBL3236098) Show SMILES COc1cc(NC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC Show InChI InChI=1S/C25H25NO5/c1-28-22-15-20(16-23(29-2)25(22)30-3)26-24(27)14-11-18-9-12-21(13-10-18)31-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3,(H,26,27)/b14-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003949 (CHEMBL3235783) Show SMILES COc1cc(NC(=O)\C=C\c2ccc(NOC(C)=O)cc2)cc(OC)c1OC Show InChI InChI=1S/C20H22N2O6/c1-13(23)28-22-15-8-5-14(6-9-15)7-10-19(24)21-16-11-17(25-2)20(27-4)18(12-16)26-3/h5-12,22H,1-4H3,(H,21,24)/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003948 (CHEMBL1094079) Show SMILES COc1cc(NC(=O)\C=C\c2cccc(OCc3ccccc3)c2)cc(OC)c1OC Show InChI InChI=1S/C25H25NO5/c1-28-22-15-20(16-23(29-2)25(22)30-3)26-24(27)13-12-18-10-7-11-21(14-18)31-17-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,26,27)/b13-12+	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	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003952 (CHEMBL3236093) Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C19H21NO6/c1-23-15-7-5-12(9-14(15)21)6-8-18(22)20-13-10-16(24-2)19(26-4)17(11-13)25-3/h5-11,21H,1-4H3,(H,20,22)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003954 (CHEMBL3235782) Show SMILES COc1cc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OC(C)=O Show InChI InChI=1S/C21H23NO7/c1-13(23)29-16-8-6-14(10-17(16)25-2)7-9-20(24)22-15-11-18(26-3)21(28-5)19(12-15)27-4/h6-12H,1-5H3,(H,22,24)/b9-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561932 (CHEMBL4761451) Show SMILES CN1C(=O)C2(c3cc(F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003951 (CHEMBL3236092) Show SMILES COc1cccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1O Show InChI InChI=1S/C19H21NO6/c1-23-14-7-5-6-12(18(14)22)8-9-17(21)20-13-10-15(24-2)19(26-4)16(11-13)25-3/h5-11,22H,1-4H3,(H,20,21)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003956 (CHEMBL3235785) Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 Show InChI InChI=1S/C26H27NO6/c1-29-21-12-10-18(14-22(21)33-17-19-8-6-5-7-9-19)11-13-25(28)27-20-15-23(30-2)26(32-4)24(16-20)31-3/h5-16H,17H2,1-4H3,(H,27,28)/b13-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003951 (CHEMBL3236092) Show SMILES COc1cccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1O Show InChI InChI=1S/C19H21NO6/c1-23-14-7-5-6-12(18(14)22)8-9-17(21)20-13-10-15(24-2)19(26-4)16(11-13)25-3/h5-11,22H,1-4H3,(H,20,21)/b9-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003948 (CHEMBL1094079) Show SMILES COc1cc(NC(=O)\C=C\c2cccc(OCc3ccccc3)c2)cc(OC)c1OC Show InChI InChI=1S/C25H25NO5/c1-28-22-15-20(16-23(29-2)25(22)30-3)26-24(27)13-12-18-10-7-11-21(14-18)31-17-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,26,27)/b13-12+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003965 (CHEMBL3236099) Show SMILES COc1cc(NC(=O)\C=C\c2ccc(OC)c(c2)[N+]([O-])=O)cc(OC)c1OC Show InChI InChI=1S/C19H20N2O7/c1-25-15-7-5-12(9-14(15)21(23)24)6-8-18(22)20-13-10-16(26-2)19(28-4)17(11-13)27-3/h5-11H,1-4H3,(H,20,22)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50003952 (CHEMBL3236093) Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C19H21NO6/c1-23-15-7-5-12(9-14(15)21)6-8-18(22)20-13-10-16(24-2)19(26-4)17(11-13)25-3/h5-11,21H,1-4H3,(H,20,22)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's me...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561930 (CHEMBL4760778) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003949 (CHEMBL3235783) Show SMILES COc1cc(NC(=O)\C=C\c2ccc(NOC(C)=O)cc2)cc(OC)c1OC Show InChI InChI=1S/C20H22N2O6/c1-13(23)28-22-15-8-5-14(6-9-15)7-10-19(24)21-16-11-17(25-2)20(27-4)18(12-16)26-3/h5-12,22H,1-4H3,(H,21,24)/b10-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003955 (CHEMBL3235784) Show SMILES COc1cc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H27NO6/c1-29-22-14-18(10-12-21(22)33-17-19-8-6-5-7-9-19)11-13-25(28)27-20-15-23(30-2)26(32-4)24(16-20)31-3/h5-16H,17H2,1-4H3,(H,27,28)/b13-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003959 (CHEMBL3236087) Show SMILES COc1cc(NC(=O)\C=C\c2c(O)cccc2[N+]([O-])=O)cc(OC)c1OC Show InChI InChI=1S/C18H18N2O7/c1-25-15-9-11(10-16(26-2)18(15)27-3)19-17(22)8-7-12-13(20(23)24)5-4-6-14(12)21/h4-10,21H,1-3H3,(H,19,22)/b8-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50003963 (CHEMBL1094988) Show SMILES COc1cccc(\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 Show InChI InChI=1S/C19H21NO5/c1-22-15-7-5-6-13(10-15)8-9-18(21)20-14-11-16(23-2)19(25-4)17(12-14)24-3/h5-12H,1-4H3,(H,20,21)/b9-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after ...				Eur J Med Chem 78: 43-53 (2014) Article DOI: 10.1016/j.ejmech.2014.03.015 BindingDB Entry DOI: 10.7270/Q2KW5HKK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445973 (CHEMBL3103095) Show SMILES c1ccc-2c(c1)\C(=N\N=C1/c3ccccc3-c3nc4ccccc4nc13)c1nc3ccccc3nc-21 Show InChI InChI=1S/C30H16N6/c1-3-11-19-17(9-1)25-29(33-23-15-7-5-13-21(23)31-25)27(19)35-36-28-20-12-4-2-10-18(20)26-30(28)34-24-16-8-6-14-22(24)32-26/h1-16H/b35-27-,36-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
					More data for this Ligand-Target Pair

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