Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'renard' and Initial = 'py'   

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))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Cornish-Bowden plot an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as dissociation constant for protein-substrate-compound complex using acetylthiocholine iodi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523281 (CHEMBL4583650) Show SMILES O=C(Nc1ccc(cn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-16-15-22(20-37-31)29-21-43(42-41-29)19-17-36-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,36,38)(H2,37,39,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50369748 (CHEMBL208599) Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:19:8:5:3.2.7,THB:11:9:5:3.2.7| Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556958 (CHEMBL4744528) Show SMILES COc1cc(CNC(=O)Cc2cn(CCCCC3=CC4CC(C3)c3c(N)c5ccc(Cl)cc5nc3C4)nn2)ccc1O |t:17,TLB:33:34:20:22.18.17,THB:24:23:20:22.18.17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
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	1.84	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556953 (CHEMBL4748114) Show SMILES COc1cc(CNC(=O)CCCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:35,TLB:24:23:20:35.32.33,THB:17:18:20:35.32.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556954 (CHEMBL4782921) Show SMILES COc1cc(CNC(=O)CCCCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:36,TLB:25:24:21:36.33.34,THB:18:19:21:36.33.34| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298409 ((+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,...) Show SMILES COc1cc2CCN(CCCCCCc3cn(CCNc4c5C6CC(Cc5nc5cc(Cl)ccc45)C=C(C)C6)nn3)C(c3cccc(c3)[N+]([O-])=O)c2cc1OC |t:38,TLB:20:21:23:38.35.36,THB:37:36:23:25.26.21,27:26:23:38.35.36| Show InChI InChI=1S/C44H50ClN7O4/c1-28-19-29-21-32(20-28)42-39(22-29)47-38-25-33(45)12-13-36(38)43(42)46-15-18-51-27-34(48-49-51)10-6-4-5-7-16-50-17-14-30-24-40(55-2)41(56-3)26-37(30)44(50)31-9-8-11-35(23-31)52(53)54/h8-9,11-13,19,23-27,29,32,44H,4-7,10,14-18,20-22H2,1-3H3,(H,46,47)	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	3.95	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556951 (CHEMBL4788434) Show SMILES COc1cc(CNC(=O)CCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:33,TLB:22:21:18:33.30.31,THB:15:16:18:33.30.31| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556956 (CHEMBL4741162) Show SMILES COc1cc(CNC(=O)CCCC\C=C\CNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:35,TLB:24:23:20:35.32.33,THB:17:18:20:35.32.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556950 (CHEMBL4743210) Show SMILES COc1cc(CNC(=O)CCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:32,TLB:21:20:17:32.29.30,THB:14:15:17:32.29.30| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556957 (CHEMBL4794769) Show SMILES COc1cc(CNC(=O)CCCC\C=C\CCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:37,TLB:26:25:22:37.34.35,THB:19:20:22:37.34.35| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298408 ((+/-)-3-chloro-6,7,10,11-tetrahydro-N-(2-(4-(6-(3,...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCn1cc(CCCCCCN2CCc3cc(OC)c(OC)cc3C2c2cccc(c2)[N+]([O-])=O)nn1 |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2| Show InChI InChI=1S/C45H52ClN7O4/c1-4-29-20-30-22-33(21-29)43-40(23-30)48-39-26-34(46)13-14-37(39)44(43)47-16-19-52-28-35(49-50-52)11-7-5-6-8-17-51-18-15-31-25-41(56-2)42(57-3)27-38(31)45(51)32-10-9-12-36(24-32)53(54)55/h9-10,12-14,20,24-28,30,33,45H,4-8,11,15-19,21-23H2,1-3H3,(H,47,48)	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	5.96	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298403 ((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2| Show InChI InChI=1S/C20H23ClN2O/c1-2-12-7-13-9-14(8-12)19-18(10-13)23-17-11-15(21)3-4-16(17)20(19)22-5-6-24/h3-4,7,11,13-14,24H,2,5-6,8-10H2,1H3,(H,22,23)	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	6.75	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523276 (CHEMBL4443989) Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50556958 (CHEMBL4744528) Show SMILES COc1cc(CNC(=O)Cc2cn(CCCCC3=CC4CC(C3)c3c(N)c5ccc(Cl)cc5nc3C4)nn2)ccc1O |t:17,TLB:33:34:20:22.18.17,THB:24:23:20:22.18.17| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523265 (CHEMBL4531222) Show SMILES O=C(Nc1cc(COCc2cn(CCCc3ccccc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C31H33N7O3/c39-30-25-11-6-12-26(29(25)27-13-4-5-17-38(27)30)33-31(40)34-28-18-23(14-15-32-28)20-41-21-24-19-37(36-35-24)16-7-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-15,18-19,27H,4-5,7,10,13,16-17,20-21H2,(H2,32,33,34,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298405 ((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-] |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1| Show InChI InChI=1S/C19H20ClN5/c1-11-6-12-8-13(7-11)18-17(9-12)24-16-10-14(20)2-3-15(16)19(18)22-4-5-23-25-21/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,24)	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	8.69	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523276 (CHEMBL4443989) Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298402 ((+/-)-N-(2-Hydroxyethyl)-3-chloro-6,7,10,11-tetrah...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCO |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1| Show InChI InChI=1S/C19H21ClN2O/c1-11-6-12-8-13(7-11)18-17(9-12)22-16-10-14(20)2-3-15(16)19(18)21-4-5-23/h2-3,6,10,12-13,23H,4-5,7-9H2,1H3,(H,21,22)	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	9.66	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523277 (CHEMBL4516356) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,32H,2,4-6,9,12,14,17-19,22-23H2,(H,39,40)(H2,38,41,42,48)	PDB UniProtKB/TrEMBL 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
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523269 (CHEMBL4446287) Show SMILES CN(Cc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C38H42N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,33H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H,40,41)(H2,39,42,43,50)	PDB UniProtKB/TrEMBL 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
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523267 (CHEMBL4559936) Show SMILES O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523266 (CHEMBL4444585) Show SMILES CN(CC#C)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C23H25N5O2/c1-3-12-27(2)15-16-10-11-24-20(14-16)26-23(30)25-18-8-6-7-17-21(18)19-9-4-5-13-28(19)22(17)29/h1,6-8,10-11,14,19H,4-5,9,12-13,15H2,2H3,(H2,24,25,26,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298406 ((+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahyd...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-] |t:2,TLB:19:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2| Show InChI InChI=1S/C20H22ClN5/c1-2-12-7-13-9-14(8-12)19-18(10-13)25-17-11-15(21)3-4-16(17)20(19)23-5-6-24-26-22/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3,(H,23,25)	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	13.7	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523262 (CHEMBL4443468) Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523282 (CHEMBL4515295) Show SMILES O=C(Nc1cc(CCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C22H22N4O2/c1-2-3-7-15-11-12-23-19(14-15)25-22(28)24-17-9-6-8-16-20(17)18-10-4-5-13-26(18)21(16)27/h1,6,8-9,11-12,14,18H,3-5,7,10,13H2,(H2,23,24,25,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523267 (CHEMBL4559936) Show SMILES O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50523278 (CHEMBL4463060) Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523262 (CHEMBL4443468) Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r| Show InChI InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50523275 (CHEMBL4537026) Show SMILES O=C(Nc1cccc(n1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C35H35N9O2/c45-34-24-11-7-15-28(32(24)30-16-5-6-19-44(30)34)39-35(46)40-31-17-8-14-27(38-31)29-21-43(42-41-29)20-18-36-33-22-9-1-3-12-25(22)37-26-13-4-2-10-23(26)33/h1,3,7-9,11-12,14-15,17,21,30H,2,4-6,10,13,16,18-20H2,(H,36,37)(H2,38,39,40,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's me...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523268 (CHEMBL4593316) Show SMILES O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O2/c47-36-28-10-7-13-31(34(28)32-14-5-6-20-46(32)36)41-37(48)42-33-22-24(17-18-38-33)15-16-25-23-45(44-43-25)21-19-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,17-18,22-23,32H,2,4-6,9,12,14-16,19-21H2,(H,39,40)(H2,38,41,42,48)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523277 (CHEMBL4516356) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,32H,2,4-6,9,12,14,17-19,22-23H2,(H,39,40)(H2,38,41,42,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50399310 (CHEMBL2180854) Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523268 (CHEMBL4593316) Show SMILES O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C37H39N9O2/c47-36-28-10-7-13-31(34(28)32-14-5-6-20-46(32)36)41-37(48)42-33-22-24(17-18-38-33)15-16-25-23-45(44-43-25)21-19-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,17-18,22-23,32H,2,4-6,9,12,14-16,19-21H2,(H,39,40)(H2,38,41,42,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellma...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399310 (CHEMBL2180854) Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556955 (CHEMBL4782267) Show SMILES COc1cc(CNC(=O)c2ccc(CNc3c4C5CC(Cc4nc4cc(Cl)ccc34)C=C(C)C5)cc2)ccc1O |t:33,TLB:22:21:18:33.30.31,THB:15:16:18:33.30.31| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's m...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523274 (CHEMBL4537142) Show SMILES Cn1cc(COCc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)nn1 Show InChI InChI=1S/C23H25N7O3/c1-29-12-16(27-28-29)14-33-13-15-8-9-24-20(11-15)26-23(32)25-18-6-4-5-17-21(18)19-7-2-3-10-30(19)22(17)31/h4-6,8-9,11-12,19H,2-3,7,10,13-14H2,1H3,(H2,24,25,26,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523273 (CHEMBL4459540) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C29H31N9O3/c39-28-23-4-3-5-24(27(23)25-6-1-2-14-38(25)28)33-29(40)34-26-16-20(7-12-32-26)18-41-19-22-17-37(36-35-22)15-13-31-21-8-10-30-11-9-21/h3-5,7-12,16-17,25H,1-2,6,13-15,18-19H2,(H,30,31)(H2,32,33,34,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523278 (CHEMBL4463060) Show SMILES [H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's me...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50556954 (CHEMBL4782921) Show SMILES COc1cc(CNC(=O)CCCCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:36,TLB:25:24:21:36.33.34,THB:18:19:21:36.33.34| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50523271 (CHEMBL4566076) Show SMILES O=C(Nc1cc(ccn1)C#C)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298404 ((+/-)-N-(2-chloroethyl)-3-chloro-6,7,10,11-tetrahy...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCl |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1| Show InChI InChI=1S/C19H20Cl2N2/c1-11-6-12-8-13(7-11)18-17(9-12)23-16-10-14(21)2-3-15(16)19(18)22-5-4-20/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,23)	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	43.3	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50523263 (CHEMBL4483607) Show SMILES [H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r| Show InChI InChI=1S/C20H18N4O2/c1-2-13-9-10-21-17(12-13)23-20(26)22-15-7-5-6-14-18(15)16-8-3-4-11-24(16)19(14)25/h1,5-7,9-10,12,16H,3-4,8,11H2,(H2,21,22,23,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063 BindingDB Entry DOI: 10.7270/Q2J969S0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50556953 (CHEMBL4748114) Show SMILES COc1cc(CNC(=O)CCCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:35,TLB:24:23:20:35.32.33,THB:17:18:20:35.32.33| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair

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