Compile Data Set for Download or QSAR

Found 288 hits of affinity data for UniProtKB/TrEMBL: O00748   

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
Cocaine esterase (Homo sapiens (Human))	BDBM50209402 (1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | CHEMBL...) Show SMILES Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F Show InChI InChI=1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350329 (CHEMBL1812859) Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209418 (1,2-bis(2,3,4-trifluorophenyl)ethane-1,2-dione | C...) Show SMILES Fc1ccc(C(=O)C(=O)c2ccc(F)c(F)c2F)c(F)c1F Show InChI InChI=1S/C14H4F6O2/c15-7-3-1-5(9(17)11(7)19)13(21)14(22)6-2-4-8(16)12(20)10(6)18/h1-4H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22734 (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benz...) Show SMILES Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350329 (CHEMBL1812859) Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350328 (CHEMBL1812858) Show SMILES CCCCCCCC(=O)C(=O)CCCCCCC Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209410 (1,2-bis(2,3,4-trifluorophenyl)-2-hydroxyethanone |...) Show SMILES OC(C(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F Show InChI InChI=1S/C14H6F6O2/c15-7-3-1-5(9(17)11(7)19)13(21)14(22)6-2-4-8(16)12(20)10(6)18/h1-4,13,21H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209414 (1,2-bis(3-fluorophenyl)ethane-1,2-dione | CHEMBL24...) Show SMILES Fc1cccc(c1)C(=O)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C14H8F2O2/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350328 (CHEMBL1812858) Show SMILES CCCCCCCC(=O)C(=O)CCCCCCC Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350326 (CHEMBL1812864) Show SMILES CCCCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22734 (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benz...) Show SMILES Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209395 (1,2-bis(2,3,5-trifluorophenyl)ethane-1,2-dione | C...) Show SMILES Fc1cc(F)c(F)c(c1)C(=O)C(=O)c1cc(F)cc(F)c1F Show InChI InChI=1S/C14H4F6O2/c15-5-1-7(11(19)9(17)3-5)13(21)14(22)8-2-6(16)4-10(18)12(8)20/h1-4H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233200 (CHEMBL4071772) Show SMILES Ic1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C16H9IO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233200 (CHEMBL4071772) Show SMILES Ic1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C16H9IO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3| Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209416 (1,2-bis(2,3,6-trifluorophenyl)ethane-1,2-dione | C...) Show SMILES Fc1cc(F)c(F)c(c1)C(=O)C(=O)c1c(F)ccc(F)c1F Show InChI InChI=1S/C14H4F6O2/c15-5-3-6(11(19)9(18)4-5)13(21)14(22)10-7(16)1-2-8(17)12(10)20/h1-4H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50154561 (CHEMBL3774603) Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/m0/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit...				Eur J Med Chem 112: 280-8 (2016) Article DOI: 10.1016/j.ejmech.2016.02.020 BindingDB Entry DOI: 10.7270/Q2TQ63D6
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350325 (CHEMBL1812863) Show SMILES CCCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350325 (CHEMBL1812863) Show SMILES CCCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22857 (1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...) Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209400 (1,2-bis(2,5-difluorophenyl)-2-hydroxyethanone | CH...) Show SMILES OC(C(=O)c1cc(F)ccc1F)c1cc(F)ccc1F Show InChI InChI=1S/C14H8F4O2/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,13,19H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209423 (1,2-bis(2-fluorophenyl)ethane-1,2-dione | CHEMBL24...) Show SMILES Fc1ccccc1C(=O)C(=O)c1ccccc1F Show InChI InChI=1S/C14H8F2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350321 (CHEMBL1812856) Show SMILES CCCCCC(=O)C(=O)CCCCC Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209419 (1,2-bis(2,5-difluorophenyl)ethane-1,2-dione | CHEM...) Show SMILES Fc1ccc(F)c(c1)C(=O)C(=O)c1cc(F)ccc1F Show InChI InChI=1S/C14H6F4O2/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233201 (CHEMBL4101254) Show SMILES Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233201 (CHEMBL4101254) Show SMILES Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350328 (CHEMBL1812858) Show SMILES CCCCCCCC(=O)C(=O)CCCCCCC Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50552232 (CHEMBL4776624) Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112856 BindingDB Entry DOI: 10.7270/Q2NZ8CB7
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209407 (1,2-bis(3,5-difluorophenyl)-2-hydroxyethanone | CH...) Show SMILES OC(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H8F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6,13,19H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22850 (1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...) Show SMILES O=C(C1CCCCC1)C(=O)C1CCCCC1 Show InChI InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350324 (CHEMBL1812862) Show SMILES CCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350324 (CHEMBL1812862) Show SMILES CCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350327 (CHEMBL1812857) Show SMILES CCCCCCC(=O)C(=O)CCCCCC Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350327 (CHEMBL1812857) Show SMILES CCCCCCC(=O)C(=O)CCCCCC Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3| Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171924 (1,2-Di-naphthalen-2-yl-ethane-1,2-dione | 1,2-di(n...) Show SMILES O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50571105 (CHEMBL4851375) Show SMILES Cc1ccc(CC2C(=O)N(N=C2c2ccc(C)cc2)C2CCCCC2)cc1 |c:10| Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non-competitive inhibition of CES2 in human liver microsomes using fluorescein diacetate as substrate by Lineweaver-Burk plot based Michelis-Menten e...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116187 BindingDB Entry DOI: 10.7270/Q2SN0DQP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350325 (CHEMBL1812863) Show SMILES CCCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209420 (1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone |...) Show SMILES OC(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F Show InChI InChI=1S/C14H6F6O2/c15-5-1-7(11(19)9(17)3-5)13(21)14(22)8-2-6(16)4-10(18)12(8)20/h1-4,13,21H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) | Beta lapachone | R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5| Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233199 (CHEMBL4098780) Show SMILES Brc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C16H9BrO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50209421 (1,2-bis(2,6-difluorophenyl)-2-hydroxyethanone | CH...) Show SMILES OC(C(=O)c1c(F)cccc1F)c1c(F)cccc1F Show InChI InChI=1S/C14H8F4O2/c15-7-3-1-4-8(16)11(7)13(19)14(20)12-9(17)5-2-6-10(12)18/h1-6,13,19H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal carboxylesterase				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50233198 (CHEMBL4082280) Show SMILES Clc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C16H9ClO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair

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