Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50033462   

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 (Homo sapiens (Human))	BDBM50345813 (3-((S)-1-(dimethylamino)ethyl)phenylmethyl((S)-1-p...) Show SMILES C[C@@H](Cc1ccccc1)N(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C21H28N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h6-13,15-17H,14H2,1-5H3/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50345812 (3-((S)-1-(dimethylamino)ethyl)phenylmethyl((R)-1-p...) Show SMILES C[C@H](Cc1ccccc1)N(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C21H28N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h6-13,15-17H,14H2,1-5H3/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50345813 (3-((S)-1-(dimethylamino)ethyl)phenylmethyl((S)-1-p...) Show SMILES C[C@@H](Cc1ccccc1)N(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C21H28N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h6-13,15-17H,14H2,1-5H3/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50345810 (3-((S)-1-(dimethylamino)ethyl)phenyl(R)-1-phenylpr...) Show SMILES C[C@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	404	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50345810 (3-((S)-1-(dimethylamino)ethyl)phenyl(R)-1-phenylpr...) Show SMILES C[C@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50345811 (3-((S)-1-(dimethylamino)ethyl)phenyl(S)-1-phenylpr...) Show SMILES C[C@@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	508	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50345811 (3-((S)-1-(dimethylamino)ethyl)phenyl(S)-1-phenylpr...) Show SMILES C[C@@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50345812 (3-((S)-1-(dimethylamino)ethyl)phenylmethyl((R)-1-p...) Show SMILES C[C@H](Cc1ccccc1)N(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C21H28N2O2/c1-16(14-18-10-7-6-8-11-18)23(5)21(24)25-20-13-9-12-19(15-20)17(2)22(3)4/h6-13,15-17H,14H2,1-5H3/t16-,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	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sention Inc. Curated by ChEMBL					Assay Description Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method				Bioorg Med Chem Lett 19: 3243-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.089 BindingDB Entry DOI: 10.7270/Q2VQ3300
					More data for this Ligand-Target Pair