Compile Data Set for Download or QSAR

Found 341 hits with Last Name = 'richardson' and Initial = 'rj'   

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
Liver carboxylesterase (Sus scrofa)	BDBM50570559 (CHEMBL4868687) Show SMILES COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of porcine liver carboxylesterase by double reciprocal Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50300582 (CHEMBL573979 | Dibutyl 2,2,2-trifluoro-1-phenyleth...) Show SMILES CCCCOP(=O)(OCCCC)OC(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H24F3O4P/c1-3-5-12-21-24(20,22-13-6-4-2)23-15(16(17,18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis				Bioorg Med Chem Lett 19: 5528-30 (2009) Article DOI: 10.1016/j.bmcl.2009.08.065 BindingDB Entry DOI: 10.7270/Q2VH5NXD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262661 (CHEMBL4075825) Show SMILES CN1c2ccccc2C(c2ccccc12)n1cncn1 Show InChI InChI=1S/C16H14N4/c1-19-14-8-4-2-6-12(14)16(20-11-17-10-18-20)13-7-3-5-9-15(13)19/h2-11,16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50267978 (CHEMBL4096931) Show SMILES CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:5| Show InChI InChI=1S/C18H13F9N4O3/c1-2-34-13(32)12-14(33,15(19,20)16(21,22)17(23,24)18(25,26)27)31-11(28-29-12)8-10(30-31)9-6-4-3-5-7-9/h3-8,28,33H,2H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500766 (CHEMBL3754409) Show SMILES I.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:18| Show InChI InChI=1S/C22H27IN2S.HI/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50529195 (CHEMBL4475685) Show SMILES Cc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C11H9F3N2O3/c1-6-2-4-7(5-3-6)15-16-8(10(18)19)9(17)11(12,13)14/h2-5,15H,1H3,(H,18,19)/b16-8-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ural Branch of Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase by double reciprocal Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126716 BindingDB Entry DOI: 10.7270/Q2CR5XTF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262660 (CHEMBL4065259) Show SMILES CN1c2ccccc2C(N2CCSCC2)c2ccccc12 Show InChI InChI=1S/C18H20N2S/c1-19-16-8-4-2-6-14(16)18(20-10-12-21-13-11-20)15-7-3-5-9-17(15)19/h2-9,18H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500766 (CHEMBL3754409) Show SMILES I.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:18| Show InChI InChI=1S/C22H27IN2S.HI/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262687 (CHEMBL4077169) Show SMILES CN1c2ccccc2C(N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C18H20N2O/c1-19-16-8-4-2-6-14(16)18(20-10-12-21-13-11-20)15-7-3-5-9-17(15)19/h2-9,18H,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500752 (CHEMBL3754327) Show SMILES Br.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:18| Show InChI InChI=1S/C22H27BrN2S.BrH/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262637 (CHEMBL4088659) Show SMILES CN1c2ccccc2C(c2ccccc12)n1nnc2ccccc12 Show InChI InChI=1S/C20H16N4/c1-23-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)23)24-19-13-7-4-10-16(19)21-22-24/h2-13,20H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50268001 (CHEMBL4100446) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4| Show InChI InChI=1S/C9H5F9N6O3/c1-27-3(25)2-5(26,24-4(20-19-2)21-22-23-24)6(10,11)7(12,13)8(14,15)9(16,17)18/h26H,1H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500752 (CHEMBL3754327) Show SMILES Br.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:18| Show InChI InChI=1S/C22H27BrN2S.BrH/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500760 (CHEMBL3754622) Show SMILES I.Clc1ccc(CN(Cc2cccnc2)C2=NCC(CI)S2)cc1 |t:15| Show InChI InChI=1S/C17H17ClIN3S.HI/c18-15-5-3-13(4-6-15)11-22(12-14-2-1-7-20-9-14)17-21-10-16(8-19)23-17;/h1-7,9,16H,8,10-12H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50267979 (CHEMBL4069738) Show SMILES COC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:4| Show InChI InChI=1S/C17H11F9N4O3/c1-33-12(31)11-13(32,14(18,19)15(20,21)16(22,23)17(24,25)26)30-10(27-28-11)7-9(29-30)8-5-3-2-4-6-8/h2-7,27,32H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262651 (CHEMBL4080726) Show SMILES F[B-](F)(F)F.CCN(CC)c1ccc(cc1)-c1c2ccccc2[n+](C)c2ccccc12 Show InChI InChI=1S/C24H25N2/c1-4-26(5-2)19-16-14-18(15-17-19)24-20-10-6-8-12-22(20)25(3)23-13-9-7-11-21(23)24/h6-17H,4-5H2,1-3H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500766 (CHEMBL3754409) Show SMILES I.CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:18| Show InChI InChI=1S/C22H27IN2S.HI/c1-22(2,3)19-11-9-18(10-12-19)16-25(15-17-7-5-4-6-8-17)21-24-14-20(13-23)26-21;/h4-12,20H,13-16H2,1-3H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500755 (CHEMBL3752466) Show SMILES I.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:17| Show InChI InChI=1S/C21H25IN2S.HI/c1-16(2)19-10-8-18(9-11-19)15-24(14-17-6-4-3-5-7-17)21-23-13-20(12-22)25-21;/h3-11,16,20H,12-15H2,1-2H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262656 (CHEMBL4067342) Show SMILES F[B-](F)(F)F.C[n+]1c2ccccc2c(-c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c2ccccc12 |(13.27,-31.17,;11.94,-31.94,;10.61,-31.17,;11.94,-33.48,;11.93,-30.4,;12.82,-30.29,;12.82,-28.75,;11.49,-27.98,;10.16,-28.75,;8.82,-27.98,;8.83,-26.44,;10.15,-25.67,;11.49,-26.43,;12.82,-25.65,;12.82,-24.11,;11.49,-23.36,;11.49,-21.82,;12.83,-21.04,;14.16,-21.81,;14.16,-23.35,;15.49,-24.13,;15.49,-21.04,;16.83,-21.82,;15.5,-19.5,;16.82,-20.26,;10.15,-21.06,;10.15,-19.52,;8.82,-21.83,;8.81,-20.28,;14.16,-26.43,;15.49,-25.67,;16.82,-26.43,;16.82,-27.97,;15.49,-28.74,;14.16,-27.97,)| Show InChI InChI=1S/C28H31NO/c1-27(2,3)18-16-21(26(30)22(17-18)28(4,5)6)25-19-12-8-10-14-23(19)29(7)24-15-11-9-13-20(24)25/h8-17H,1-7H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500756 (CHEMBL3752908) Show SMILES I.ICC1CN=C(Nc2ccccn2)S1 |t:4| Show InChI InChI=1S/C9H10IN3S.HI/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8;/h1-4,7H,5-6H2,(H,11,12,13);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463665 (CHEMBL4240365) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H20BrNO4/c1-3-20-19(23(27)18-13-17(24)9-10-21(18)29-20)15-25(12-11-22(26)28-2)14-16-7-5-4-6-8-16/h3-13H,1,14-15H2,2H3/b12-11+	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
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50267977 (CHEMBL4080436) Show SMILES CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)F)-c1ccccc1 |t:5| Show InChI InChI=1S/C16H13F5N4O3/c1-2-28-13(26)12-14(27,15(17,18)16(19,20)21)25-11(22-23-12)8-10(24-25)9-6-4-3-5-7-9/h3-8,22,27H,2H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463663 (CHEMBL4244573) Show SMILES COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO4/c1-3-20-19(23(26)18-11-7-8-12-21(18)28-20)16-24(14-13-22(25)27-2)15-17-9-5-4-6-10-17/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500755 (CHEMBL3752466) Show SMILES I.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:17| Show InChI InChI=1S/C21H25IN2S.HI/c1-16(2)19-10-8-18(9-11-19)15-24(14-17-6-4-3-5-7-17)21-23-13-20(12-22)25-21;/h3-11,16,20H,12-15H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50463658 (CHEMBL4246032) Show SMILES CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O Show InChI InChI=1S/C23H21NO3/c1-3-21-20(23(26)19-11-7-8-12-22(19)27-21)16-24(14-13-17(2)25)15-18-9-5-4-6-10-18/h3-14H,1,15-16H2,2H3/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Linewe...				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262666 (CHEMBL4104952) Show SMILES F[B-](F)(F)F.C[n+]1c2ccccc2c(-c2ccc(N)cc2)c2ccccc12 Show InChI InChI=1S/C20H16N2/c1-22-18-8-4-2-6-16(18)20(14-10-12-15(21)13-11-14)17-7-3-5-9-19(17)22/h2-13,21H,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50300581 (CHEMBL575301 | Diethyl 2,2,2-trifluoro-1-phenyleth...) Show SMILES CCOP(=O)(OCC)OC(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C12H16F3O4P/c1-3-17-20(16,18-4-2)19-11(12(13,14)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis				Bioorg Med Chem Lett 19: 5528-30 (2009) Article DOI: 10.1016/j.bmcl.2009.08.065 BindingDB Entry DOI: 10.7270/Q2VH5NXD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262661 (CHEMBL4075825) Show SMILES CN1c2ccccc2C(c2ccccc12)n1cncn1 Show InChI InChI=1S/C16H14N4/c1-19-14-8-4-2-6-12(14)16(20-11-17-10-18-20)13-7-3-5-9-15(13)19/h2-11,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500757 (CHEMBL3752682) Show SMILES Br.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:17| Show InChI InChI=1S/C21H25BrN2S.BrH/c1-16(2)19-10-8-18(9-11-19)15-24(14-17-6-4-3-5-7-17)21-23-13-20(12-22)25-21;/h3-11,16,20H,12-15H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500760 (CHEMBL3754622) Show SMILES I.Clc1ccc(CN(Cc2cccnc2)C2=NCC(CI)S2)cc1 |t:15| Show InChI InChI=1S/C17H17ClIN3S.HI/c18-15-5-3-13(4-6-15)11-22(12-14-2-1-7-20-9-14)17-21-10-16(8-19)23-17;/h1-7,9,16H,8,10-12H2;1H	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
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262660 (CHEMBL4065259) Show SMILES CN1c2ccccc2C(N2CCSCC2)c2ccccc12 Show InChI InChI=1S/C18H20N2S/c1-19-16-8-4-2-6-14(16)18(20-10-12-21-13-11-20)15-7-3-5-9-17(15)19/h2-9,18H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262687 (CHEMBL4077169) Show SMILES CN1c2ccccc2C(N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C18H20N2O/c1-19-16-8-4-2-6-14(16)18(20-10-12-21-13-11-20)15-7-3-5-9-17(15)19/h2-9,18H,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262637 (CHEMBL4088659) Show SMILES CN1c2ccccc2C(c2ccccc12)n1nnc2ccccc12 Show InChI InChI=1S/C20H16N4/c1-23-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)23)24-19-13-7-4-10-16(19)21-22-24/h2-13,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50267981 (CHEMBL4089864) Show SMILES COC(=O)C1=NNc2ncnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4| Show InChI InChI=1S/C10H6F9N5O3/c1-27-4(25)3-6(26,24-5(23-22-3)20-2-21-24)7(11,12)8(13,14)9(15,16)10(17,18)19/h2,26H,1H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50300580 (CHEMBL575281 | Dimethyl 2,2,2-trifluoro-1-phenylet...) Show SMILES COP(=O)(OC)OC(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis				Bioorg Med Chem Lett 19: 5528-30 (2009) Article DOI: 10.1016/j.bmcl.2009.08.065 BindingDB Entry DOI: 10.7270/Q2VH5NXD
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500758 (CHEMBL3753216) Show SMILES Br.COc1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:16| Show InChI InChI=1S/C19H21BrN2OS.BrH/c1-23-17-9-7-16(8-10-17)14-22(13-15-5-3-2-4-6-15)19-21-12-18(11-20)24-19;/h2-10,18H,11-14H2,1H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500755 (CHEMBL3752466) Show SMILES I.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:17| Show InChI InChI=1S/C21H25IN2S.HI/c1-16(2)19-10-8-18(9-11-19)15-24(14-17-6-4-3-5-7-17)21-23-13-20(12-22)25-21;/h3-11,16,20H,12-15H2,1-2H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50500748 (CHEMBL3753156) Show SMILES I.COc1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:16| Show InChI InChI=1S/C19H21IN2OS.HI/c1-23-17-9-7-16(8-10-17)14-22(13-15-5-3-2-4-6-15)19-21-12-18(11-20)24-19;/h2-10,18H,11-14H2,1H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant pre...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500746 (CHEMBL3753531) Show SMILES Br.Clc1ccc(CN(Cc2cccnc2)C2=NCC(CBr)S2)cc1 |t:15| Show InChI InChI=1S/C17H17BrClN3S.BrH/c18-8-16-10-21-17(23-16)22(12-14-2-1-7-20-9-14)11-13-3-5-15(19)6-4-13;/h1-7,9,16H,8,10-12H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated fo...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50570559 (CHEMBL4868687) Show SMILES COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human erythrocyte AChE by double reciprocal Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262651 (CHEMBL4080726) Show SMILES F[B-](F)(F)F.CCN(CC)c1ccc(cc1)-c1c2ccccc2[n+](C)c2ccccc12 Show InChI InChI=1S/C24H25N2/c1-4-26(5-2)19-16-14-18(15-17-19)24-20-10-6-8-12-22(20)25(3)23-13-9-7-11-21(23)24/h6-17H,4-5H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double re...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50262666 (CHEMBL4104952) Show SMILES F[B-](F)(F)F.C[n+]1c2ccccc2c(-c2ccc(N)cc2)c2ccccc12 Show InChI InChI=1S/C20H16N2/c1-22-18-8-4-2-6-16(18)20(14-10-12-15(21)13-11-14)17-7-3-5-9-19(17)22/h2-13,21H,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...				Bioorg Med Chem 25: 5981-5994 (2017) Article DOI: 10.1016/j.bmc.2017.09.028 BindingDB Entry DOI: 10.7270/Q2FT8PHZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500746 (CHEMBL3753531) Show SMILES Br.Clc1ccc(CN(Cc2cccnc2)C2=NCC(CBr)S2)cc1 |t:15| Show InChI InChI=1S/C17H17BrClN3S.BrH/c18-8-16-10-21-17(23-16)22(12-14-2-1-7-20-9-14)11-13-3-5-15(19)6-4-13;/h1-7,9,16H,8,10-12H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated...				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50570559 (CHEMBL4868687) Show SMILES COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of equine serum BuChE by double reciprocal Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50570550 (CHEMBL4849361) Show SMILES CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CES1 expressed in baculovirus infected BTI insect cells using 4-NPA as substrate by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50570553 (CHEMBL4854298) Show SMILES CCOC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CES2 expressed in mouse NSO cells using 4-NPA as substrate by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50570552 (CHEMBL4855755) Show SMILES CCOC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CES1 expressed in baculovirus infected BTI insect cells using 4-NPA as substrate by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50570549 (CHEMBL4853742) Show SMILES CCOC(=O)C(=N/Nc1ccccc1)\C(=O)C(F)(F)F Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CES2 expressed in mouse NSO cells using 4-NPA as substrate by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50570553 (CHEMBL4854298) Show SMILES CCOC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50570555 (CHEMBL4868014) Show SMILES CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair

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