Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'taylor' and Initial = 'mc'   

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))	BDBM10592 (7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	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	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman method				Bioorg Med Chem Lett 24: 5435-8 (2015) Article DOI: 10.1016/j.bmcl.2014.10.025 BindingDB Entry DOI: 10.7270/Q2G162DS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108994 (CHEMBL3600555) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1| Show InChI InChI=1S/C40H49ClN4/c1-27-22-28-24-29(23-27)38-37(25-28)45-35-17-11-9-15-32(35)40(38)43-21-13-7-5-3-2-4-6-12-20-42-39-31-14-8-10-16-34(31)44-36-26-30(41)18-19-33(36)39/h9,11,15,17-19,22,26,28-29H,2-8,10,12-14,16,20-21,23-25H2,1H3,(H,42,44)(H,43,45)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108990 (CHEMBL3600551) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1| Show InChI InChI=1S/C42H53ClN4/c1-29-24-30-26-31(25-29)40-39(27-30)47-38-28-32(43)20-21-35(38)42(40)45-23-15-9-7-5-3-2-4-6-8-14-22-44-41-33-16-10-12-18-36(33)46-37-19-13-11-17-34(37)41/h10,12,16,18,20-21,24,28,30-31H,2-9,11,13-15,17,19,22-23,25-27H2,1H3,(H,44,46)(H,45,47)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108991 (CHEMBL3600552) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1| Show InChI InChI=1S/C42H52Cl2N4/c1-28-22-29-24-30(23-28)40-39(25-29)48-38-27-32(44)17-19-35(38)42(40)46-21-13-9-7-5-3-2-4-6-8-12-20-45-41-33-14-10-11-15-36(33)47-37-26-31(43)16-18-34(37)41/h16-19,22,26-27,29-30H,2-15,20-21,23-25H2,1H3,(H,45,47)(H,46,48)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108995 (CHEMBL3600556) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1| Show InChI InChI=1S/C42H53ClN4/c1-29-24-30-26-31(25-29)40-39(27-30)47-37-19-13-11-17-34(37)42(40)45-23-15-9-7-5-3-2-4-6-8-14-22-44-41-33-16-10-12-18-36(33)46-38-28-32(43)20-21-35(38)41/h11,13,17,19-21,24,28,30-31H,2-10,12,14-16,18,22-23,25-27H2,1H3,(H,44,46)(H,45,47)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108992 (CHEMBL3600553) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1| Show InChI InChI=1S/C40H50N4/c1-28-24-29-26-30(25-28)38-37(27-29)44-36-21-13-10-18-33(36)40(38)42-23-15-7-5-3-2-4-6-14-22-41-39-31-16-8-11-19-34(31)43-35-20-12-9-17-32(35)39/h8,10-11,13,16,18-19,21,24,29-30H,2-7,9,12,14-15,17,20,22-23,25-27H2,1H3,(H,41,43)(H,42,44)	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194809 (CHEMBL3910753) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCC#N)c3[C@]([H])(CC(C)=C1)C2 |r,c:32,TLB:12:25:32:31.29.28,30:29:25.3.2:32| Show InChI InChI=1S/C27H34ClN3/c1-19-14-20-16-21(15-19)26-25(17-20)31-24-18-22(28)10-11-23(24)27(26)30-13-9-7-5-3-2-4-6-8-12-29/h10-11,14,18,20-21H,2-9,13,15-17H2,1H3,(H,30,31)/t20-,21+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108993 (CHEMBL3600554) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1| Show InChI InChI=1S/C42H54N4/c1-30-26-31-28-32(27-30)40-39(29-31)46-38-23-15-12-20-35(38)42(40)44-25-17-9-7-5-3-2-4-6-8-16-24-43-41-33-18-10-13-21-36(33)45-37-22-14-11-19-34(37)41/h10,12-13,15,18,20-21,23,26,31-32H,2-9,11,14,16-17,19,22,24-25,27-29H2,1H3,(H,43,45)(H,44,46)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by ...				Bioorg Med Chem 23: 5156-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.031 BindingDB Entry DOI: 10.7270/Q2XS5X57
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484769 (CHEMBL1958429) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccc(OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O5S/c17-16(18)25-13-7-5-12(6-8-13)20-26(23,24)14-3-1-2-11(10-14)4-9-15(21)19-22/h1-10,16,20,22H,(H,19,21)/b9-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194801 (CHEMBL3910120) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(N)=N)c3[C@]([H])(CC(C)=C1)C2 |r,c:34,TLB:12:27:34:33.31.30,32:31:27.3.2:34| Show InChI InChI=1S/C27H38ClN5/c1-18-13-19-15-20(14-18)25-24(16-19)33-23-17-21(28)9-10-22(23)26(25)31-11-7-5-3-2-4-6-8-12-32-27(29)30/h9-10,13,17,19-20H,2-8,11-12,14-16H2,1H3,(H,31,33)(H4,29,30,32)/t19-,20+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194800 (CHEMBL3890983) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCNC(N)=N)c3[C@]([H])(CC(C)=C1)C2 |r,c:31,TLB:12:24:31:30.28.27,29:28:24.3.2:31| Show InChI InChI=1S/C24H32ClN5/c1-15-10-16-12-17(11-15)22-21(13-16)30-20-14-18(25)6-7-19(20)23(22)28-8-4-2-3-5-9-29-24(26)27/h6-7,10,14,16-17H,2-5,8-9,11-13H2,1H3,(H,28,30)(H4,26,27,29)/t16-,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484758 (CHEMBL1958439) Show SMILES COc1ccc(NS(=O)(=O)c2cccc(\C=C\C(=O)NO)c2)cc1 Show InChI InChI=1S/C16H16N2O5S/c1-23-14-8-6-13(7-9-14)18-24(21,22)15-4-2-3-12(11-15)5-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194807 (CHEMBL3985938) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCN4CCOCC4)c3[C@]([H])(CC(C)=C1)C2 |r,c:31,TLB:12:23:30:29.27.26,28:27:23.3.2:30| Show InChI InChI=1S/C24H30ClN3O/c1-16-11-17-13-18(12-16)23-22(14-17)27-21-15-19(25)3-4-20(21)24(23)26-5-2-6-28-7-9-29-10-8-28/h3-4,11,15,17-18H,2,5-10,12-14H2,1H3,(H,26,27)/t17-,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194798 (CHEMBL3901071) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:31,TLB:12:24:31:30.28.27,29:28:24.3.2:31| Show InChI InChI=1S/C26H36ClN3/c1-18-13-19-15-20(14-18)25-24(16-19)30-23-17-21(27)9-10-22(23)26(25)29-12-8-6-4-2-3-5-7-11-28/h9-10,13,17,19-20H,2-8,11-12,14-16,28H2,1H3,(H,29,30)/t19-,20+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9427 (CHEMBL1083790 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H33N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17,23H2,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194803 (CHEMBL3906380) Show SMILES NC(=N)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN5/c24-17-12-13-19-21(16-17)29-20-11-7-6-10-18(20)22(19)27-14-8-4-2-1-3-5-9-15-28-23(25)26/h12-13,16H,1-11,14-15H2,(H,27,29)(H4,25,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194806 (CHEMBL3937637) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:30,TLB:12:23:30:29.27.26,28:27:23.3.2:30| Show InChI InChI=1S/C25H34ClN3/c1-17-12-18-14-19(13-17)24-23(15-18)29-22-16-20(26)8-9-21(22)25(24)28-11-7-5-3-2-4-6-10-27/h8-9,12,16,18-19H,2-7,10-11,13-15,27H2,1H3,(H,28,29)/t18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50036283 (CHEMBL3353041) Show SMILES [H][C@@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5c(C[C@@]6([H])C[C@]5([H])CC(C)=C6)nc5cc(Cl)ccc45)c3[C@@]([H])(CC(C)=C1)C2 |r,c:38,57| Show InChI InChI=1S/C44H52Cl2N4/c1-27-17-29-21-31(19-27)41-39(23-29)49-37-25-33(45)11-13-35(37)43(41)47-15-9-7-5-3-4-6-8-10-16-48-44-36-14-12-34(46)26-38(36)50-40-24-30-18-28(2)20-32(22-30)42(40)44/h11-14,17-18,25-26,29-32H,3-10,15-16,19-24H2,1-2H3,(H,47,49)(H,48,50)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman method				Bioorg Med Chem Lett 24: 5435-8 (2015) Article DOI: 10.1016/j.bmcl.2014.10.025 BindingDB Entry DOI: 10.7270/Q2G162DS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194799 (CHEMBL3972196) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:32,TLB:12:25:32:31.29.28,30:29:25.3.2:32| Show InChI InChI=1S/C27H38ClN3/c1-19-14-20-16-21(15-19)26-25(17-20)31-24-18-22(28)10-11-23(24)27(26)30-13-9-7-5-3-2-4-6-8-12-29/h10-11,14,18,20-21H,2-9,12-13,15-17,29H2,1H3,(H,30,31)/t20-,21+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484764 (CHEMBL453755) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H20N2O3/c18-14(11-10-13-7-3-1-4-8-13)16-12-6-2-5-9-15(19)17-20/h1,3-4,7-8,10-11,20H,2,5-6,9,12H2,(H,16,18)(H,17,19)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484757 (CHEMBL1958436) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C15H13FN2O4S/c16-12-4-2-5-13(10-12)18-23(21,22)14-6-1-3-11(9-14)7-8-15(19)17-20/h1-10,18,20H,(H,17,19)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484755 (CHEMBL1958437) Show SMILES ONC(=O)\C=C\c1ccc2ccccc2n1 Show InChI InChI=1S/C12H10N2O2/c15-12(14-16)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-8,16H,(H,14,15)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484761 (CHEMBL1958433) Show SMILES COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C20H23N3O5S/c1-28-19-8-3-2-7-18(19)22-11-13-23(14-12-22)29(26,27)17-6-4-5-16(15-17)9-10-20(24)21-25/h2-10,15,25H,11-14H2,1H3,(H,21,24)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484756 (CHEMBL1958434) Show SMILES COc1cccc(NS(=O)(=O)c2cccc(\C=C\C(=O)NO)c2)c1 Show InChI InChI=1S/C16H16N2O5S/c1-23-14-6-3-5-13(11-14)18-24(21,22)15-7-2-4-12(10-15)8-9-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484762 (CHEMBL272847) Show SMILES COc1ccc(NS(=O)(=O)c2cccc(\C=C\C(=O)NO)c2)cc1OC Show InChI InChI=1S/C17H18N2O6S/c1-24-15-8-7-13(11-16(15)25-2)19-26(22,23)14-5-3-4-12(10-14)6-9-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b9-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9425 (CHEMBL1083789 | Heterodimeric Tacrine-Based Inhibi...) Show SMILES NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H29N3/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194808 (CHEMBL3902953) Show SMILES Clc1ccc2c(NCCCCCCCCC#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C22H28ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,15H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194793 (CHEMBL3977576) Show SMILES NC(=N)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H31N5/c22-21(23)25-15-9-3-1-2-8-14-24-20-16-10-4-6-12-18(16)26-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13-15H2,(H,24,26)(H4,22,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194796 (CHEMBL3941365) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCC#N)c3[C@]([H])(CC(C)=C1)C2 |r,c:27,TLB:12:20:27:26.24.23,25:24:20.3.2:27| Show InChI InChI=1S/C22H24ClN3/c1-14-9-15-11-16(10-14)21-20(12-15)26-19-13-17(23)5-6-18(19)22(21)25-8-4-2-3-7-24/h5-6,9,13,15-16H,2-4,8,10-12H2,1H3,(H,25,26)/t15-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484770 (CHEMBL1958430) Show SMILES COc1ccc2nc(\C=C\C(=O)NO)ccc2c1 Show InChI InChI=1S/C13H12N2O3/c1-18-11-5-6-12-9(8-11)2-3-10(14-12)4-7-13(16)15-17/h2-8,17H,1H3,(H,15,16)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484765 (CHEMBL1955942) Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H20N2O5/c19-15(17-9-3-1-2-4-16(20)18-21)8-6-12-5-7-13-14(10-12)23-11-22-13/h5-8,10,21H,1-4,9,11H2,(H,17,19)(H,18,20)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194790 (CHEMBL3970941) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCC#N)c3[C@]([H])(CC(C)=C1)C2 |r,c:28,TLB:12:21:28:27.25.24,26:25:21.3.2:28| Show InChI InChI=1S/C23H26ClN3/c1-15-10-16-12-17(11-15)22-21(13-16)27-20-14-18(24)6-7-19(20)23(22)26-9-5-3-2-4-8-25/h6-7,10,14,16-17H,2-5,9,11-13H2,1H3,(H,26,27)/t16-,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194795 (CHEMBL3945505) Show SMILES NC(=N)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H35N5/c24-23(25)27-17-11-5-3-1-2-4-10-16-26-22-18-12-6-8-14-20(18)28-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15-17H2,(H,26,28)(H4,24,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194791 (CHEMBL3905154) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:33,TLB:12:26:33:32.30.29,31:30:26.3.2:33| Show InChI InChI=1S/C28H40ClN3/c1-20-15-21-17-22(16-20)27-26(18-21)32-25-19-23(29)11-12-24(25)28(27)31-14-10-8-6-4-2-3-5-7-9-13-30/h11-12,15,19,21-22H,2-10,13-14,16-18,30H2,1H3,(H,31,32)/t21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194797 (CHEMBL3939732) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCN)c3[C@]([H])(CC(C)=C1)C2 |r,c:29,TLB:12:22:29:28.26.25,27:26:22.3.2:29| Show InChI InChI=1S/C24H32ClN3/c1-16-11-17-13-18(12-16)23-22(14-17)28-21-15-19(25)7-8-20(21)24(23)27-10-6-4-2-3-5-9-26/h7-8,11,15,17-18H,2-6,9-10,12-14,26H2,1H3,(H,27,28)/t17-,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484760 (CHEMBL1958438) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN2O4S/c16-12-5-7-13(8-6-12)18-23(21,22)14-3-1-2-11(10-14)4-9-15(19)17-20/h1-10,18,20H,(H,17,19)/b9-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194804 (CHEMBL3981921) Show SMILES N#CCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H29N3/c23-16-10-4-2-1-3-5-11-17-24-22-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)22/h6,8,12,14H,1-5,7,9-11,13,15,17H2,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194792 (CHEMBL3973917) Show SMILES Clc1ccc2c(NCCCCCCCC#N)c3CCCCc3nc2c1 Show InChI InChI=1S/C21H26ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,14H2,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194802 (CHEMBL3908171) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCN4CCCCC4)c3[C@]([H])(CC(C)=C1)C2 |r,c:31,TLB:12:23:30:29.27.26,28:27:23.3.2:30| Show InChI InChI=1S/C25H32ClN3/c1-17-12-18-14-19(13-17)24-23(15-18)28-22-16-20(26)6-7-21(22)25(24)27-8-5-11-29-9-3-2-4-10-29/h6-7,12,16,18-19H,2-5,8-11,13-15H2,1H3,(H,27,28)/t18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484768 (CHEMBL1958440) Show SMILES ONC(=O)\C=C\c1nc2ccccc2o1 Show InChI InChI=1S/C10H8N2O3/c13-9(12-14)5-6-10-11-7-3-1-2-4-8(7)15-10/h1-6,14H,(H,12,13)/b6-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194805 (CHEMBL3909021) Show SMILES N#CCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H25N3/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20/h4,6,10,12H,1-3,5,7-9,11,13,15H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484750 (CHEMBL1958428) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C19H20ClN3O4S/c20-17-6-1-2-7-18(17)22-10-12-23(13-11-22)28(26,27)16-5-3-4-15(14-16)8-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50036282 (CHEMBL3353040) Show SMILES [H][C@@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5c(C[C@@]6([H])C[C@]5([H])CC(C)=C6)nc5cc(Cl)ccc45)c3[C@@]([H])(CC(C)=C1)C2 |r,c:36,55| Show InChI InChI=1S/C42H48Cl2N4/c1-25-15-27-19-29(17-25)39-37(21-27)47-35-23-31(43)9-11-33(35)41(39)45-13-7-5-3-4-6-8-14-46-42-34-12-10-32(44)24-36(34)48-38-22-28-16-26(2)18-30(20-28)40(38)42/h9-12,15-16,23-24,27-30H,3-8,13-14,17-22H2,1-2H3,(H,45,47)(H,46,48)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman method				Bioorg Med Chem Lett 24: 5435-8 (2015) Article DOI: 10.1016/j.bmcl.2014.10.025 BindingDB Entry DOI: 10.7270/Q2G162DS
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484751 (CHEMBL1958422) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C17H19N5O4S/c23-16(20-24)6-5-14-3-1-4-15(13-14)27(25,26)22-11-9-21(10-12-22)17-18-7-2-8-19-17/h1-8,13,24H,9-12H2,(H,20,23)/b6-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484767 (CHEMBL1958424) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C18H20N4O4S/c23-18(20-24)8-7-15-4-3-5-16(14-15)27(25,26)22-12-10-21(11-13-22)17-6-1-2-9-19-17/h1-9,14,24H,10-13H2,(H,20,23)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484763 (CHEMBL1958432) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C19H21N3O4S/c23-19(20-24)10-9-16-5-4-8-18(15-16)27(25,26)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-10,15,24H,11-14H2,(H,20,23)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50484759 (CHEMBL1958423) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClN3O4S/c20-16-5-7-17(8-6-16)22-10-12-23(13-11-22)28(26,27)18-3-1-2-15(14-18)4-9-19(24)21-25/h1-9,14,25H,10-13H2,(H,21,24)/b9-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50194794 (CHEMBL3981794) Show SMILES [H][C@]12Cc3nc4cc(Cl)ccc4c(NCc4ccc(cc4)C#N)c3[C@]([H])(CC(C)=C1)C2 |r,c:31,TLB:12:23:30:29.27.26,28:27:23.3.2:30| Show InChI InChI=1S/C25H22ClN3/c1-15-8-18-10-19(9-15)24-23(11-18)29-22-12-20(26)6-7-21(22)25(24)28-14-17-4-2-16(13-27)3-5-17/h2-8,12,18-19H,9-11,14H2,1H3,(H,28,29)/t18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Bioorg Med Chem 24: 5162-5171 (2016) Article DOI: 10.1016/j.bmc.2016.08.036 BindingDB Entry DOI: 10.7270/Q2V98B0N
					More data for this Ligand-Target Pair

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