Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50046404   

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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110324 (CHEMBL3605424) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1F)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110322 (CHEMBL3605426) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110325 (CHEMBL3605423) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(Cl)cc1)c1ccc(F)cc1 |r| Show InChI	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	6.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110253 (CHEMBL3605418) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1C)c1ccc(F)cc1 |r| Show InChI	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	9.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110315 (CHEMBL3605436) Show SMILES COc1cc(ccc1O)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110320 (CHEMBL3605430) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1I)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110326 (CHEMBL3605422) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(Cl)c1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110323 (CHEMBL3605425) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(F)c1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110314 (CHEMBL3605437) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(cc1)-c1nnn[nH]1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H25FN8O/c1-37(2)15-3-14-28(22-9-11-23(29)12-10-22)24-13-8-20(16-21(24)17-38-28)26-30-25(31-32-26)18-4-6-19(7-5-18)27-33-35-36-34-27/h4-13,16H,3,14-15,17H2,1-2H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110321 (CHEMBL3605428) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(Br)c1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110280 (CHEMBL3605421) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1Cl)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110252 (CHEMBL3605419) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(C)c1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110253 (CHEMBL3605418) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1C)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110269 (CHEMBL3605312) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C146H244N44O47S2/c1-18-19-27-82(123(215)179-96(51-77-33-35-79(199)36-34-77)144(236)190-45-26-32-103(190)139(231)169-84(30-24-43-158-146(155)156)126(218)187-114(74(15)196)142(234)178-95(55-107(153)203)134(226)186-113(73(14)195)140(232)161-58-109(205)164-97(60-191)120(212)160-59-110(206)184-116(76(17)198)145(237)189-44-25-31-102(189)117(154)209)165-131(223)92(52-78-56-157-66-162-78)174-127(219)88(47-68(4)5)171-122(214)83(29-21-23-42-148)166-132(224)93(53-105(151)201)175-128(220)89(48-69(6)7)172-125(217)86(38-40-111(207)208)167-124(216)85(37-39-104(150)200)168-135(227)99(62-193)181-129(221)90(49-70(8)9)170-121(213)81(28-20-22-41-147)163-108(204)57-159-119(211)87(46-67(2)3)177-141(233)112(72(12)13)185-138(230)101(65-239)183-143(235)115(75(16)197)188-137(229)100(63-194)182-130(222)91(50-71(10)11)173-133(225)94(54-106(152)202)176-136(228)98(61-192)180-118(210)80(149)64-238/h33-36,56,66-76,80-103,112-116,191-199,238-239H,18-32,37-55,57-65,147-149H2,1-17H3,(H2,150,200)(H2,151,201)(H2,152,202)(H2,153,203)(H2,154,209)(H,157,162)(H,159,211)(H,160,212)(H,161,232)(H,163,204)(H,164,205)(H,165,223)(H,166,224)(H,167,216)(H,168,227)(H,169,231)(H,170,213)(H,171,214)(H,172,217)(H,173,225)(H,174,219)(H,175,220)(H,176,228)(H,177,233)(H,178,234)(H,179,215)(H,180,210)(H,181,221)(H,182,222)(H,183,235)(H,184,206)(H,185,230)(H,186,226)(H,187,218)(H,188,229)(H,207,208)(H4,155,156,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96?,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110316 (CHEMBL3605434) Show SMILES COc1cccc(c1)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110255 (CHEMBL3605316) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(c1)[N+]([O-])=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110254 (CHEMBL3605317) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110278 (CHEMBL3605309) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1N)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110261 (CHEMBL3605313) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(O)c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-32(2)14-4-13-27(21-8-10-22(28)11-9-21)24-12-7-19(15-20(24)17-34-27)26-29-25(30-31-26)18-5-3-6-23(33)16-18/h3,5-12,15-16,33H,4,13-14,17H2,1-2H3,(H,29,30,31)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110270 (CHEMBL3605311) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(N)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H28FN5O/c1-33(2)15-3-14-27(21-7-9-22(28)10-8-21)24-13-6-19(16-20(24)17-34-27)26-30-25(31-32-26)18-4-11-23(29)12-5-18/h4-13,16H,3,14-15,17,29H2,1-2H3,(H,30,31,32)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110316 (CHEMBL3605434) Show SMILES COc1cccc(c1)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	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	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110279 (CHEMBL3605308) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110252 (CHEMBL3605419) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(C)c1)c1ccc(F)cc1 |r| Show InChI	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	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110255 (CHEMBL3605316) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(c1)[N+]([O-])=O)c1ccc(F)cc1 |r| Show InChI	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	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110257 (CHEMBL3605314) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-32(2)15-3-14-27(21-7-9-22(28)10-8-21)24-13-6-19(16-20(24)17-34-27)26-29-25(30-31-26)18-4-11-23(33)12-5-18/h4-13,16,33H,3,14-15,17H2,1-2H3,(H,29,30,31)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110329 (CHEMBL3605427) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1Br)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110325 (CHEMBL3605423) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(Cl)cc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110251 (CHEMBL3605420) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(C)cc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110318 (CHEMBL3605432) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(I)cc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110317 (CHEMBL3605433) Show SMILES COc1ccccc1-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	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	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110327 (CHEMBL3605435) Show SMILES COc1ccc(cc1)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110324 (CHEMBL3605424) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1F)c1ccc(F)cc1 |r| Show InChI	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	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110319 (CHEMBL3605431) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(I)c1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110277 (CHEMBL3605310) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(N)c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94?,95+,96+,97+,98+,99+,100-,101-,110+,111+,112+,113+,114+,115+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110314 (CHEMBL3605437) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(cc1)-c1nnn[nH]1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H25FN8O/c1-37(2)15-3-14-28(22-9-11-23(29)12-10-22)24-13-8-20(16-21(24)17-38-28)26-30-25(31-32-26)18-4-6-19(7-5-18)27-33-35-36-34-27/h4-13,16H,3,14-15,17H2,1-2H3/t28-/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	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110322 (CHEMBL3605426) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI	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	2.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110256 (CHEMBL3605315) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1[N+]([O-])=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110320 (CHEMBL3605430) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1I)c1ccc(F)cc1 |r| Show InChI	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	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110278 (CHEMBL3605309) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1N)c1ccc(F)cc1 |r| Show InChI	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	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110257 (CHEMBL3605314) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-32(2)15-3-14-27(21-7-9-22(28)10-8-21)24-13-6-19(16-20(24)17-34-27)26-29-25(30-31-26)18-4-11-23(33)12-5-18/h4-13,16,33H,3,14-15,17H2,1-2H3,(H,29,30,31)/t27-/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	3.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110326 (CHEMBL3605422) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(Cl)c1)c1ccc(F)cc1 |r| Show InChI	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	4.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50110328 (CHEMBL3605429) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(Br)cc1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110315 (CHEMBL3605436) Show SMILES COc1cc(ccc1O)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r| Show InChI	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	<5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110318 (CHEMBL3605432) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccc(I)cc1)c1ccc(F)cc1 |r| Show InChI	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110319 (CHEMBL3605431) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(I)c1)c1ccc(F)cc1 |r| Show InChI	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110321 (CHEMBL3605428) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(Br)c1)c1ccc(F)cc1 |r| Show InChI	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	<5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110279 (CHEMBL3605308) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1ccccc1)c1ccc(F)cc1 |r| Show InChI	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50110277 (CHEMBL3605310) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)-c1nnc([nH]1)-c1cccc(N)c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94?,95+,96+,97+,98+,99+,100-,101-,110+,111+,112+,113+,114+,115+/m1/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	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 ...				Bioorg Med Chem 23: 6014-24 (2015) Article DOI: 10.1016/j.bmc.2015.06.051 BindingDB Entry DOI: 10.7270/Q2TT4SQS
					More data for this Ligand-Target Pair

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