Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'shchegol''kov' and Initial = 'ev'   

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)	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
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
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
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
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
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	29	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 Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition...				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				3D Structure (crystal)
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	n/a	n/a	460	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	600	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 Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addit...				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				3D Structure (crystal)
Liver carboxylesterase (Sus scrofa)	BDBM50268002 (CHEMBL4082432) Show SMILES CCOC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5| Show InChI InChI=1S/C10H7F9N6O3/c1-2-28-4(26)3-6(27,25-5(21-20-3)22-23-24-25)7(11,12)8(13,14)9(15,16)10(17,18)19/h27H,2H2,1H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	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	n/a	n/a	960	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267998 (CHEMBL4061796) Show SMILES CCOC(=O)C1=NNc2ncnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5| Show InChI InChI=1S/C11H8F9N5O3/c1-2-28-5(26)4-7(27,25-6(24-23-4)21-3-22-25)8(12,13)9(14,15)10(16,17)11(18,19)20/h3,27H,2H2,1H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	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	n/a	n/a	1.31E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267997 (CHEMBL4061056) Show SMILES CCOC(=O)C1=NNc2cc(C)nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5| Show InChI InChI=1S/C13H11F9N4O3/c1-3-29-8(27)7-9(28,26-6(23-24-7)4-5(2)25-26)10(14,15)11(16,17)12(18,19)13(20,21)22/h4,23,28H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.44E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50130915 (CHEBI:3122 | CHEMBL1231178) Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268000 (CHEMBL4065596) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)F |t:4| Show InChI InChI=1S/C8H5F7N6O3/c1-24-3(22)2-5(23,21-4(17-16-2)18-19-20-21)6(9,10)7(11,12)8(13,14)15/h23H,1H3,(H,17,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267982 (CHEMBL4100011) Show SMILES CCOC(=O)C1=NNc2ncnn2C1(O)C(F)(F)F |t:5| Show InChI InChI=1S/C8H8F3N5O3/c1-2-19-5(17)4-7(18,8(9,10)11)16-6(15-14-4)12-3-13-16/h3,18H,2H2,1H3,(H,12,13,15)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268003 (CHEMBL4092718) Show SMILES CCOC(=O)c1nnc(N)nc1C(F)(F)F Show InChI InChI=1S/C7H7F3N4O2/c1-2-16-5(15)3-4(7(8,9)10)12-6(11)14-13-3/h2H2,1H3,(H2,11,12,14)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	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	n/a	n/a	3.91E+3	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	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	n/a	n/a	1.07E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267971 (CHEMBL4093240) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)F |t:4| Show InChI InChI=1S/C7H6F4N6O3/c1-20-3(18)2-7(19,6(10,11)4(8)9)17-5(13-12-2)14-15-16-17/h4,19H,1H3,(H,13,14,16)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268005 (CHEMBL4084517) Show SMILES CCOC(=O)C1=NNc2nnnn2C1(O)C(F)(F)F |t:5| Show InChI InChI=1S/C7H7F3N6O3/c1-2-19-4(17)3-6(18,7(8,9)10)16-5(12-11-3)13-14-15-16/h18H,2H2,1H3,(H,12,13,15)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267970 (CHEMBL4104662) Show SMILES CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)F)-c1ccccc1 |t:5| Show InChI InChI=1S/C15H13F3N4O3/c1-2-25-13(23)12-14(24,15(16,17)18)22-11(19-20-12)8-10(21-22)9-6-4-3-5-7-9/h3-8,19,24H,2H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268007 (CHEMBL4092260) Show SMILES OC1(C(=NNc2nnnn12)C(=O)c1ccccc1)C(F)(F)F |c:2| Show InChI InChI=1S/C11H7F3N6O2/c12-11(13,14)10(22)8(7(21)6-4-2-1-3-5-6)15-16-9-17-18-19-20(9)10/h1-5,22H,(H,16,17,19)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267983 (CHEMBL4090402) Show SMILES CCOC(=O)c1ncn2c1NN=C(C(=O)OCC)C2(O)C(F)(F)F |t:12| Show InChI InChI=1S/C12H13F3N4O5/c1-3-23-9(20)6-8-18-17-7(10(21)24-4-2)11(22,12(13,14)15)19(8)5-16-6/h5,18,22H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267996 (CHEMBL4099381) Show SMILES CCOC(=O)c1cnn2c1NN=C(C(=O)OC)C2(O)C(F)(F)C(F)(F)C(F)(F)F |t:12| Show InChI InChI=1S/C13H11F7N4O5/c1-3-29-8(25)5-4-21-24-7(5)23-22-6(9(26)28-2)10(24,27)11(14,15)12(16,17)13(18,19)20/h4,23,27H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50267980 (CHEMBL4089228) Show SMILES CCOC(=O)C1=NNc2cc(C)nn2C1(O)C(F)(F)F |t:5| Show InChI InChI=1S/C10H11F3N4O3/c1-3-20-8(18)7-9(19,10(11,12)13)17-6(14-15-7)4-5(2)16-17/h4,14,19H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.83E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268004 (CHEMBL4062840) Show SMILES OC1(C(=NNc2ncnn12)C(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F |c:2| Show InChI InChI=1S/C14H8F7N5O2/c15-12(16,13(17,18)14(19,20)21)11(28)9(8(27)7-4-2-1-3-5-7)24-25-10-22-6-23-26(10)11/h1-6,28H,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.34E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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)	BDBM50268006 (CHEMBL4071464) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)F |t:4| Show InChI InChI=1S/C6H5F3N6O3/c1-18-3(16)2-5(17,6(7,8)9)15-4(11-10-2)12-13-14-15/h17H,1H3,(H,11,12,14)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	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 Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				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