Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'iorga' and Initial = 'bi'   

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
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569703 (CHEMBL4851703) Show SMILES Oc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569685 (CHEMBL4877631) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569681 (CHEMBL4867398) Show SMILES C(Oc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569680 (CHEMBL4862416) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569686 (CHEMBL4868540) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569689 (CHEMBL4855728) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569696 (CHEMBL4867248) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569690 (CHEMBL4876416) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569699 (CHEMBL4855195) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(OC)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569698 (CHEMBL4855265) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569692 (CHEMBL4864504) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569688 (CHEMBL4848727) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569697 (CHEMBL4860974) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569687 (CHEMBL4862171) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569691 (CHEMBL4866009) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569684 (CHEMBL4865343) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569682 (CHEMBL4849131) Show SMILES COc1cccc(c1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569679 (CHEMBL4855927) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569683 (CHEMBL4849406) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569702 (CHEMBL4864325) Show SMILES Clc1ccc(C2C\C(=N/c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569704 (CHEMBL4848912) Show SMILES OCc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569694 (CHEMBL4876790) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569705 (CHEMBL4853896) Show SMILES OC(=O)c1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569695 (CHEMBL4875502) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569701 (CHEMBL4872507) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569693 (CHEMBL4854293) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569700 (CHEMBL4872541) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346357 (20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(SC[C@@]52C)C(C)C)c1 |r,c:37| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-14-15-36-20-37(36)28(13-12-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-10-9-11-25(16-24)42-8/h9-11,16,22-23,26-29,31,40H,12-15,17-21H2,1-8H3/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346361 (20S-[p-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccc(cc2)C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-14-15-35-19-36(35)27(13-12-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-8-10-24(11-9-23)37(38,39)40/h8-11,21-22,25-28,30,43H,12-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346360 (20S-[m-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2cccc(c2)C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-13-14-35-19-36(35)27(12-11-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-9-8-10-24(15-23)37(38,39)40/h8-10,15,21-22,25-28,30,43H,11-14,16-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346357 (20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(SC[C@@]52C)C(C)C)c1 |r,c:37| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-14-15-36-20-37(36)28(13-12-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-10-9-11-25(16-24)42-8/h9-11,16,22-23,26-29,31,40H,12-15,17-21H2,1-8H3/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346356 (20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(SC[C@@]41C)C(C)C |r,c:39| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-15-16-36-20-37(36)28(14-13-27(36)33(29,4)21-43-32)34(5)17-25(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-11-9-10-12-26(24)42-8/h9-12,22-23,25,27-29,31,40H,13-21H2,1-8H3/t23-,25+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346353 (20S-[benzyl(methyl)amino]-16alpha-hydroxy-4beta,14...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccccc2)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C36H52N2O2S/c1-22(2)31-37-28-15-16-35-20-36(35)27(14-13-26(35)32(28,4)21-41-31)33(5)17-25(39)30(34(33,6)18-29(36)40)23(3)38(7)19-24-11-9-8-10-12-24/h8-12,22-23,25-28,30,39H,13-21H2,1-7H3/t23-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346361 (20S-[p-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccc(cc2)C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-14-15-35-19-36(35)27(13-12-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-8-10-24(11-9-23)37(38,39)40/h8-11,21-22,25-28,30,43H,12-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346358 (20S-[(4-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1ccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(SC[C@@]52C)C(C)C)cc1 |r,c:36| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-15-16-36-20-37(36)28(14-13-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-9-11-25(42-8)12-10-24/h9-12,22-23,26-29,31,40H,13-21H2,1-8H3/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346360 (20S-[m-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2cccc(c2)C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-13-14-35-19-36(35)27(12-11-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-9-8-10-24(15-23)37(38,39)40/h8-10,15,21-22,25-28,30,43H,11-14,16-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346359 (20S-[o-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccccc2C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-14-15-35-19-36(35)27(13-12-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-10-8-9-11-24(23)37(38,39)40/h8-11,21-22,25-28,30,43H,12-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346356 (20S-[(2-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(SC[C@@]41C)C(C)C |r,c:39| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-15-16-36-20-37(36)28(14-13-27(36)33(29,4)21-43-32)34(5)17-25(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-11-9-10-12-26(24)42-8/h9-12,22-23,25,27-29,31,40H,13-21H2,1-8H3/t23-,25+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346353 (20S-[benzyl(methyl)amino]-16alpha-hydroxy-4beta,14...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccccc2)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C36H52N2O2S/c1-22(2)31-37-28-15-16-35-20-36(35)27(14-13-26(35)32(28,4)21-41-31)33(5)17-25(39)30(34(33,6)18-29(36)40)23(3)38(7)19-24-11-9-8-10-12-24/h8-12,22-23,25-28,30,39H,13-21H2,1-7H3/t23-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346363 (2-{3-[[16alpha-hydroxy-4beta,14alpha-dimethyl-11-o...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)CCCN2C(=O)c4ccccc4C2=O)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C40H55N3O4S/c1-23(2)33-41-30-15-16-39-21-40(39)29(14-13-28(39)36(30,4)22-48-33)37(5)19-27(44)32(38(37,6)20-31(40)45)24(3)42(7)17-10-18-43-34(46)25-11-8-9-12-26(25)35(43)47/h8-9,11-12,23-24,27-30,32,44H,10,13-22H2,1-7H3/t24-,27+,28-,29-,30-,32-,36-,37-,38+,39+,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346363 (2-{3-[[16alpha-hydroxy-4beta,14alpha-dimethyl-11-o...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)CCCN2C(=O)c4ccccc4C2=O)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C40H55N3O4S/c1-23(2)33-41-30-15-16-39-21-40(39)29(14-13-28(39)36(30,4)22-48-33)37(5)19-27(44)32(38(37,6)20-31(40)45)24(3)42(7)17-10-18-43-34(46)25-11-8-9-12-26(25)35(43)47/h8-9,11-12,23-24,27-30,32,44H,10,13-22H2,1-7H3/t24-,27+,28-,29-,30-,32-,36-,37-,38+,39+,40-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346354 (20S-[methyl(2-phenylethyl)amino]-16alpha-hydroxy-4...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)CCc2ccccc2)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H54N2O2S/c1-23(2)32-38-29-15-17-36-21-37(36)28(14-13-27(36)33(29,4)22-42-32)34(5)19-26(40)31(35(34,6)20-30(37)41)24(3)39(7)18-16-25-11-9-8-10-12-25/h8-12,23-24,26-29,31,40H,13-22H2,1-7H3/t24-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346370 (20S-(dimethylamino)-16a-hydroxy-4beta,14alpha-dime...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)C=C1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC3=O |r,c:20,t:3| Show InChI InChI=1S/C31H48N2O2/c1-18(2)20-11-13-27(4)22-9-10-23-28(5)15-21(34)26(19(3)33(7)8)29(28,6)16-25(35)31(23)17-30(22,31)14-12-24(27)32-20/h11,13,18-19,21-24,26,34H,9-10,12,14-17H2,1-8H3/t19-,21+,22-,23-,24-,26-,27-,28-,29+,30+,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346358 (20S-[(4-methoxybenzyl)(methyl)amino]-16alpha-hydro...) Show SMILES COc1ccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(SC[C@@]52C)C(C)C)cc1 |r,c:36| Show InChI InChI=1S/C37H54N2O3S/c1-22(2)32-38-29-15-16-36-20-37(36)28(14-13-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-9-11-25(42-8)12-10-24/h9-12,22-23,26-29,31,40H,13-21H2,1-8H3/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346354 (20S-[methyl(2-phenylethyl)amino]-16alpha-hydroxy-4...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)CCc2ccccc2)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H54N2O2S/c1-23(2)32-38-29-15-17-36-21-37(36)28(14-13-27(36)33(29,4)22-42-32)34(5)19-26(40)31(35(34,6)20-30(37)41)24(3)39(7)18-16-25-11-9-8-10-12-25/h8-12,23-24,26-29,31,40H,13-22H2,1-7H3/t24-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346359 (20S-[o-(trifluoromethyl)benzylamino]-16alpha-hydro...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)Cc2ccccc2C(F)(F)F)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C37H51F3N2O2S/c1-21(2)31-41-28-14-15-35-19-36(35)27(13-12-26(35)32(28,4)20-45-31)33(5)16-25(43)30(34(33,6)17-29(36)44)22(3)42(7)18-23-10-8-9-11-24(23)37(38,39)40/h8-11,21-22,25-28,30,43H,12-20H2,1-7H3/t22-,25+,26-,27-,28-,30-,32-,33-,34+,35+,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346362 (2-{2-[[16alpha-hydroxy-4beta,14alpha-dimethyl-11-o...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)CCN2C(=O)c4ccccc4C2=O)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C39H53N3O4S/c1-22(2)32-40-29-14-15-38-20-39(38)28(13-12-27(38)35(29,4)21-47-32)36(5)18-26(43)31(37(36,6)19-30(39)44)23(3)41(7)16-17-42-33(45)24-10-8-9-11-25(24)34(42)46/h8-11,22-23,26-29,31,43H,12-21H2,1-7H3/t23-,26+,27-,28-,29-,31-,35-,36-,37+,38+,39-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50346370 (20S-(dimethylamino)-16a-hydroxy-4beta,14alpha-dime...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)C=C1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC3=O |r,c:20,t:3| Show InChI InChI=1S/C31H48N2O2/c1-18(2)20-11-13-27(4)22-9-10-23-28(5)15-21(34)26(19(3)33(7)8)29(28,6)16-25(35)31(23)17-30(22,31)14-12-24(27)32-20/h11,13,18-19,21-24,26,34H,9-10,12,14-17H2,1-8H3/t19-,21+,22-,23-,24-,26-,27-,28-,29+,30+,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346351 (CHEMBL1783523 | N-{16alpha-hydroxy-4beta,14alpha-d...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C(=O)c2ccccc2)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C36H50N2O3S/c1-21(2)30-37-27-15-16-35-19-36(35)26(14-13-25(35)32(27,4)20-42-30)33(5)17-24(39)29(34(33,6)18-28(36)40)22(3)38(7)31(41)23-11-9-8-10-12-23/h8-12,21-22,24-27,29,39H,13-20H2,1-7H3/t22-,24+,25-,26-,27-,29-,32-,33-,34+,35+,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50346372 (20S-(dimethylamino)-16alpha-hydroxy-4beta,14alpha-...) Show SMILES CC(C)C1=N[C@H]2CC[C@]34C[C@@]33[C@@H](CC[C@H]4[C@]2(C)CS1)[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC3=O |r,t:3| Show InChI InChI=1S/C30H48N2O2S/c1-17(2)25-31-22-11-12-29-15-30(29)21(10-9-20(29)26(22,4)16-35-25)27(5)13-19(33)24(18(3)32(7)8)28(27,6)14-23(30)34/h17-22,24,33H,9-16H2,1-8H3/t18-,19+,20-,21-,22-,24-,26-,27-,28+,29+,30-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method				Eur J Med Chem 46: 2193-205 (2011) Article DOI: 10.1016/j.ejmech.2011.02.073 BindingDB Entry DOI: 10.7270/Q2VM4CMQ
					More data for this Ligand-Target Pair

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