Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 4933   

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 (Torpedo marmorata (Marbled electric ray))	BDBM82305 (Terephthalaldehyde, 4-I-4) Show SMILES O=C(C[n+]1ccccc1)NN=Cc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1 |w:10.10,16.16| Show InChI InChI=1S/C22H20N6O2/c29-21(17-27-11-3-1-4-12-27)25-23-15-19-7-9-20(10-8-19)16-24-26-22(30)18-28-13-5-2-6-14-28/h1-16H,17-18H2/p+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Torpedo marmorata (Marbled electric ray))	BDBM50119793 (1,1'-(dodecane-1,12-diyl)dipyridinium bromide | 1,...) Show SMILES C(CCCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C22H34N2/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H,1-8,11-12,17-18H2/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Torpedo marmorata (Marbled electric ray))	BDBM50119779 (1,1'-(decane-1,10-diyl)dipyridinium iodide | 1,10-...) Show SMILES C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1 Show InChI InChI=1S/C20H30N2/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.8	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Torpedo marmorata (Marbled electric ray))	BDBM50060533 (1,12-Bis(trimethyl ammonium)dodecane dibromide | 1...) Show SMILES C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.2	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Torpedo marmorata (Marbled electric ray))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair				3D Structure (crystal)