Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'long' and Initial = 'jp'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017514 (8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13 Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017514 (8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13 Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017513 (8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31 Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017513 (8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31 Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy University of Iowa Curated by ChEMBL					Assay Description Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone				J Med Chem 32: 1959-62 (1989) BindingDB Entry DOI: 10.7270/Q237799C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50368271 (CHEMBL1204112) Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCCO1 Show InChI InChI=1S/C30H42N2O6/c1-31(2,21-29-35-15-5-16-36-29)19-27(33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(34)20-32(3,4)22-30-37-17-6-18-38-30/h7-14,29-30H,5-6,15-22H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50224035 (79907 | Lergotrile) Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50223956 (CHEMBL555412) Show SMILES Br.CN(C)C1Cc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C11H15NO2/c1-12(2)9-3-7-5-10(13)11(14)6-8(7)4-9/h5-6,9,13-14H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50368269 (CHEMBL1202156) Show SMILES C[N+](C)(CC1CCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCO1 Show InChI InChI=1S/C32H46N2O4/c1-33(2,21-29-9-5-7-19-37-29)23-31(35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)32(36)24-34(3,4)22-30-10-6-8-20-38-30/h11-18,29-30H,5-10,19-24H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536287 (CHEMBL4581664) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C27H29N5O2/c1-20-6-8-24(17-25(20)27(33)28-10-11-31-12-14-34-15-13-31)26-19-32(30-29-26)18-21-7-9-22-4-2-3-5-23(22)16-21/h2-9,16-17,19H,10-15,18H2,1H3,(H,28,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM50368268 (CHEMBL1202155) Show SMILES C[N+](C)(CC1OCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCO1 Show InChI InChI=1S/C28H38N2O6/c1-29(2,19-27-33-13-14-34-27)17-25(31)23-9-5-21(6-10-23)22-7-11-24(12-8-22)26(32)18-30(3,4)20-28-35-15-16-36-28/h5-12,27-28H,13-20H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50223901 (CHEMBL544695) Show SMILES Br.CN(C)C1Cc2ccc(O)c(O)c2C1 Show InChI InChI=1S/C11H15NO2.BrH/c1-12(2)8-5-7-3-4-10(13)11(14)9(7)6-8;/h3-4,8,13-14H,5-6H2,1-2H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50223957 (CHEMBL544931) Show SMILES Br.CCCN(CCC)C1Cc2ccc(O)c(O)c2C1 Show InChI InChI=1S/C15H23NO2.BrH/c1-3-7-16(8-4-2)12-9-11-5-6-14(17)15(18)13(11)10-12;/h5-6,12,17-18H,3-4,7-10H2,1-2H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50107876 ((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...) Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536290 (CHEMBL4525497) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)cc2Cl)nn1 Show InChI InChI=1S/C23H25ClFN5O2/c1-16-2-3-17(12-20(16)23(31)26-6-7-29-8-10-32-11-9-29)22-15-30(28-27-22)14-18-4-5-19(25)13-21(18)24/h2-5,12-13,15H,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536298 (CHEMBL4551175) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(cc2)C#N)nn1 Show InChI InChI=1S/C24H26N6O2/c1-18-2-7-21(14-22(18)24(31)26-8-9-29-10-12-32-13-11-29)23-17-30(28-27-23)16-20-5-3-19(15-25)4-6-20/h2-7,14,17H,8-13,16H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50368272 (CHEMBL1202157) Show SMILES C[N+](C)(CC1CCOCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCOCO1 Show InChI InChI=1S/C30H42N2O6/c1-31(2,17-27-13-15-35-21-37-27)19-29(33)25-9-5-23(6-10-25)24-7-11-26(12-8-24)30(34)20-32(3,4)18-28-14-16-36-22-38-28/h5-12,27-28H,13-22H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536299 (CHEMBL4525580) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)c(F)c2)nn1 Show InChI InChI=1S/C23H25F2N5O2/c1-16-2-4-18(13-19(16)23(31)26-6-7-29-8-10-32-11-9-29)22-15-30(28-27-22)14-17-3-5-20(24)21(25)12-17/h2-5,12-13,15H,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50290378 (2-Dipropylamino-indan-5,6-diol | CHEMBL277743) Show SMILES CCCN(CCC)C1Cc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C15H23NO2/c1-3-5-16(6-4-2)13-7-11-9-14(17)15(18)10-12(11)8-13/h9-10,13,17-18H,3-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50012004 ((2-Biphenyl-4-yl-2-oxo-ethyl)-[1,3]dioxan-2-ylmeth...) Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H26NO3/c1-22(2,16-21-24-13-6-14-25-21)15-20(23)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-12,21H,6,13-16H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536288 (CHEMBL4561751) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C23H26N6O4/c1-17-2-5-19(14-21(17)23(30)24-8-9-27-10-12-33-13-11-27)22-16-28(26-25-22)15-18-3-6-20(7-4-18)29(31)32/h2-7,14,16H,8-13,15H2,1H3,(H,24,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536294 (CHEMBL4581887) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(Br)cc2)nn1 Show InChI InChI=1S/C23H26BrN5O2/c1-17-2-5-19(14-21(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-18-3-6-20(24)7-4-18/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536296 (CHEMBL4578074) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)cc2)nn1 Show InChI InChI=1S/C23H26FN5O2/c1-17-2-5-19(14-21(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-18-3-6-20(24)7-4-18/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50224035 (79907 | Lergotrile) Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536291 (CHEMBL4513605) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)cc2F)nn1 Show InChI InChI=1S/C23H25F2N5O2/c1-16-2-3-17(12-20(16)23(31)26-6-7-29-8-10-32-11-9-29)22-15-30(28-27-22)14-18-4-5-19(24)13-21(18)25/h2-5,12-13,15H,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50368270 (CHEMBL1202154) Show SMILES C[N+](C)(CC1CCCCC1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCC1 Show InChI InChI=1S/C34H50N2O2/c1-35(2,23-27-11-7-5-8-12-27)25-33(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)34(38)26-36(3,4)24-28-13-9-6-10-14-28/h15-22,27-28H,5-14,23-26H2,1-4H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536306 (CHEMBL4513836) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(cc2)C(F)(F)F)nn1 Show InChI InChI=1S/C24H26F3N5O2/c1-17-2-5-19(14-21(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-18-3-6-20(7-4-18)24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536293 (CHEMBL4524162) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2cccc(Br)c2)nn1 Show InChI InChI=1S/C23H26BrN5O2/c1-17-5-6-19(14-21(17)23(30)25-7-8-28-9-11-31-12-10-28)22-16-29(27-26-22)15-18-3-2-4-20(24)13-18/h2-6,13-14,16H,7-12,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50223959 (CHEMBL538227) Show SMILES Br.CCN(CC)C1Cc2ccc(OC)c(OC)c2C1 Show InChI InChI=1S/C15H23NO2.BrH/c1-5-16(6-2)12-9-11-7-8-14(17-3)15(18-4)13(11)10-12;/h7-8,12H,5-6,9-10H2,1-4H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.				J Med Chem 25: 1442-6 (1982) BindingDB Entry DOI: 10.7270/Q2XD13WD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536292 (CHEMBL4536296) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)c(c2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C23H25FN6O4/c1-16-2-4-18(13-19(16)23(31)25-6-7-28-8-10-34-11-9-28)21-15-29(27-26-21)14-17-3-5-20(24)22(12-17)30(32)33/h2-5,12-13,15H,6-11,14H2,1H3,(H,25,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536295 (CHEMBL4516485) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2cccc(F)c2)nn1 Show InChI InChI=1S/C23H26FN5O2/c1-17-5-6-19(14-21(17)23(30)25-7-8-28-9-11-31-12-10-28)22-16-29(27-26-22)15-18-3-2-4-20(24)13-18/h2-6,13-14,16H,7-12,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536285 (CHEMBL4521556) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(OC(F)(F)F)cc2)nn1 Show InChI InChI=1S/C24H26F3N5O3/c1-17-2-5-19(14-21(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-18-3-6-20(7-4-18)35-24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536286 (CHEMBL4522818) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C23H28N6O4S/c1-17-2-5-19(14-21(17)23(30)25-8-9-28-10-12-33-13-11-28)22-16-29(27-26-22)15-18-3-6-20(7-4-18)34(24,31)32/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)(H2,24,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536307 (CHEMBL4541730) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccccc2Cl)nn1 Show InChI InChI=1S/C23H26ClN5O2/c1-17-6-7-18(14-20(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-19-4-2-3-5-21(19)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536309 (CHEMBL4576458) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)cc2Br)nn1 Show InChI InChI=1S/C23H25BrFN5O2/c1-16-2-3-17(12-20(16)23(31)26-6-7-29-8-10-32-11-9-29)22-15-30(28-27-22)14-18-4-5-19(25)13-21(18)24/h2-5,12-13,15H,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536303 (CHEMBL4531267) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2cccc(Cl)c2)nn1 Show InChI InChI=1S/C23H26ClN5O2/c1-17-5-6-19(14-21(17)23(30)25-7-8-28-9-11-31-12-10-28)22-16-29(27-26-22)15-18-3-2-4-20(24)13-18/h2-6,13-14,16H,7-12,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536305 (CHEMBL4584351) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccccc2C(F)(F)F)nn1 Show InChI InChI=1S/C24H26F3N5O2/c1-17-6-7-18(14-20(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-19-4-2-3-5-21(19)24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50536307 (CHEMBL4541730) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccccc2Cl)nn1 Show InChI InChI=1S/C23H26ClN5O2/c1-17-6-7-18(14-20(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-19-4-2-3-5-21(19)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50536292 (CHEMBL4536296) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)c(c2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C23H25FN6O4/c1-16-2-4-18(13-19(16)23(31)25-6-7-28-8-10-34-11-9-28)21-15-29(27-26-21)14-17-3-5-20(24)22(12-17)30(32)33/h2-5,12-13,15H,6-11,14H2,1H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50536304 (CHEMBL4530986) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccccc2Br)nn1 Show InChI InChI=1S/C23H26BrN5O2/c1-17-6-7-18(14-20(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-19-4-2-3-5-21(19)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 103 total )  |  Next  |  Last  >>

Jump to: