Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'silman' and Initial = 'i'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10439 ((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	-51.4	2.40	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50507212 (CHEMBL4585990) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10440 ((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.5	-47.2	16	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50507211 (CHEMBL4444843) Show SMILES Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50507209 (CHEMBL4537101) Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50507208 (CHEMBL4526050) Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h2-6,9,12,15,17,26H,7-8,10-11,13-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM84950 (CAS_183782 | NSC_183782 | RS 67333) Show SMILES CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Agonist activity at 5-HT4R (unknown origin)				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Aldo Moro Curated by ChEMBL					Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method				ACS Med Chem Lett 11: 869-876 (2020) Article DOI: 10.1021/acsmedchemlett.9b00656 BindingDB Entry DOI: 10.7270/Q2WS8XS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50540764 (CHEMBL4648322) Show SMILES COc1cc2cc(NC(=O)[C@@H]3CCC[C@@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r| Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Aldo Moro Curated by ChEMBL					Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method				ACS Med Chem Lett 11: 869-876 (2020) Article DOI: 10.1021/acsmedchemlett.9b00656 BindingDB Entry DOI: 10.7270/Q2WS8XS4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10440 ((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	19.6	-43.6	52	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507215 (CHEMBL4562793) Show SMILES O=C(CCC1CCN(CC2CCCC2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H30N2O/c25-22(20-6-7-21-19(15-20)9-12-23-21)8-5-17-10-13-24(14-11-17)16-18-3-1-2-4-18/h6-7,9,12,15,17-18,23H,1-5,8,10-11,13-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507211 (CHEMBL4444843) Show SMILES Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507213 (CHEMBL4529710) Show SMILES O=C(CCC1CCN(CC2CCCCC2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H32N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h7-8,10,13,16,18-19,24H,1-6,9,11-12,14-15,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507209 (CHEMBL4537101) Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	47.1	-41.4	114	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507214 (CHEMBL4567394) Show SMILES CCCCN1CCC(CCC(=O)c2ccc3[nH]ccc3c2)CC1 Show InChI InChI=1S/C20H28N2O/c1-2-3-12-22-13-9-16(10-14-22)4-7-20(23)18-5-6-19-17(15-18)8-11-21-19/h5-6,8,11,15-16,21H,2-4,7,9-10,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507210 (CHEMBL4454706) Show SMILES COc1c(ccc2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C24H34N2O2/c1-28-24-20-11-14-25-22(20)9-8-21(24)23(27)10-7-18-12-15-26(16-13-18)17-19-5-3-2-4-6-19/h8-9,11,14,18-19,25H,2-7,10,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50424045 (CHEMBL2314726) Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r| Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/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	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Aldo Moro Curated by ChEMBL					Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method				ACS Med Chem Lett 11: 869-876 (2020) Article DOI: 10.1021/acsmedchemlett.9b00656 BindingDB Entry DOI: 10.7270/Q2WS8XS4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50424045 (CHEMBL2314726) Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r| Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/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	93.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Aldo Moro Curated by ChEMBL					Assay Description Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method				ACS Med Chem Lett 11: 869-876 (2020) Article DOI: 10.1021/acsmedchemlett.9b00656 BindingDB Entry DOI: 10.7270/Q2WS8XS4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507208 (CHEMBL4526050) Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H27ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h2-6,9,12,15,17,26H,7-8,10-11,13-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50507212 (CHEMBL4585990) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	175	-38.2	414	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	175	-38.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10632 ((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...) Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13| Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11?,12-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	334	-37.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10630 (3-[1-(dimethylamino)ethyl]phenol | NAP) Show SMILES CC(N(C)C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	700	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				Biochemistry 41: 3555-64 (2002) Article DOI: 10.1021/bi020016x BindingDB Entry DOI: 10.7270/Q2NG4NVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10630 (3-[1-(dimethylamino)ethyl]phenol | NAP) Show SMILES CC(N(C)C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	3.30E+4	-25.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				Biochemistry 41: 3555-64 (2002) Article DOI: 10.1021/bi020016x BindingDB Entry DOI: 10.7270/Q2NG4NVX
					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))	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 (Rattus norvegicus (rat))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of rat brain AChE				J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX
					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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10487 (1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-...) Show SMILES Nc1c2CCCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H15ClN2/c15-10-6-4-8-12-13(10)14(16)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H2,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10503 (1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)me...) Show SMILES Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H16F4N2OS/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10501 (1-(3-{[(4-amino-2-methylquinolin-3-yl)methoxy]meth...) Show SMILES Cc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O2/c1-12-16(18(24)15-7-2-3-8-17(15)25-12)11-27-10-13-5-4-6-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10499 (1-(3-{[(4-amino-5-fluoro-2-methylquinolin-3-yl)met...) Show SMILES Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H16F4N2O2/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9047 (Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of rat brain AChE				J Med Chem 49: 5491-500 (2006) Article DOI: 10.1021/jm060164b BindingDB Entry DOI: 10.7270/Q2154GPX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10406 ((1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoind...) Show SMILES COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,t:6| Show InChI InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10500 (1-(3-{[(4-amino-5-chloro-2-methylquinolin-3-yl)met...) Show SMILES Cc1nc2cccc(Cl)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H16ClF3N2O2/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair

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