Compile Data Set for Download or QSAR

Found 12 hits of ki for UniProtKB: P37136   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	-10.4	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
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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of rat AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50342601 (CHEMBL1255901 | Huperzine A) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| 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+/t10-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					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	-9.89	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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50429847 (CHEMBL2338670) Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12 Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 1064-73 (2013) Article DOI: 10.1016/j.bmc.2013.01.015 BindingDB Entry DOI: 10.7270/Q2GB25C5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104605 (13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13| Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026058 (CHEMBL3335259) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1 Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50026058 (CHEMBL3335259) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1 Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunan University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation				Bioorg Med Chem Lett 24: 4749-53 (2014) Article DOI: 10.1016/j.bmcl.2014.07.087 BindingDB Entry DOI: 10.7270/Q2PR7XKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pudue Pharma Discovery Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 306: 377-86 (2003) Article DOI: 10.1124/jpet.102.045674 BindingDB Entry DOI: 10.7270/Q2TX3CX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104603 (13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....) Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13| Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50028409 (CHEMBL285508 | Trimethyl-[3-(2-oxo-2lambda*5*-[1,3...) Show SMILES C[N+](C)(C)c1cccc(OP2(=O)OCCCO2)c1 Show InChI InChI=1S/C12H19NO4P/c1-13(2,3)11-6-4-7-12(10-11)17-18(14)15-8-5-9-16-18/h4,6-7,10H,5,8-9H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant of the compound against rat brain acetylcholinesterase at pH 7.0				J Med Chem 26: 145-52 (1983) BindingDB Entry DOI: 10.7270/Q23T9G75
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104604 (11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...) Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13| Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair