Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'balakin' and Initial = 'kv'   

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
Caspase-3 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10358 (2-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-dioxo-4...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H21N3O7S/c1-12-17-18(20(26)23(19(17)25)7-10-30-13(2)24)15-11-14(3-4-16(15)21-12)31(27,28)22-5-8-29-9-6-22/h3-4,11H,5-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10360 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-phenyl-4...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccccc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H23N3O7S/c1-16(29)35-14-11-28-24(30)21-19-15-18(36(32,33)27-9-12-34-13-10-27)7-8-20(19)26-23(22(21)25(28)31)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10362 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-[(E)-2-[...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2\C=C\c1ccc(cc1)C(F)(F)F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C28H24F3N3O7S/c1-17(35)41-15-12-34-26(36)24-21-16-20(42(38,39)33-10-13-40-14-11-33)7-9-22(21)32-23(25(24)27(34)37)8-4-18-2-5-19(6-3-18)28(29,30)31/h2-9,16H,10-15H2,1H3/b8-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10374 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-(pyridin...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1cccnc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H22N4O7S/c1-15(29)35-12-9-28-23(30)20-18-13-17(36(32,33)27-7-10-34-11-8-27)4-5-19(18)26-22(21(20)24(28)31)16-3-2-6-25-14-16/h2-6,13-14H,7-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10373 (2-[7-(3-chloro-4-fluorophenyl)-12-(morpholine-4-su...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H21ClFN3O7S/c1-14(31)37-11-8-30-24(32)21-17-13-16(38(34,35)29-6-9-36-10-7-29)3-5-20(17)28-23(22(21)25(30)33)15-2-4-19(27)18(26)12-15/h2-5,12-13H,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10361 (2-[7-(furan-2-yl)-12-(morpholine-4-sulfonyl)-3,5-d...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccco1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H21N3O8S/c1-14(27)33-12-8-26-22(28)19-16-13-15(35(30,31)25-6-10-32-11-7-25)4-5-17(16)24-21(20(19)23(26)29)18-3-2-9-34-18/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10359 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-(propan-...) Show SMILES CC(C)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H25N3O7S/c1-13(2)20-19-18(21(27)25(22(19)28)8-11-32-14(3)26)16-12-15(4-5-17(16)23-20)33(29,30)24-6-9-31-10-7-24/h4-5,12-13H,6-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10372 (2-{7-[4-(dimethylcarbamoyl)phenyl]-12-(morpholine-...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C28H28N4O8S/c1-17(33)40-15-12-32-27(35)23-21-16-20(41(37,38)31-10-13-39-14-11-31)8-9-22(21)29-25(24(23)28(32)36)18-4-6-19(7-5-18)26(34)30(2)3/h4-9,16H,10-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10365 (pyrrolo[3,4-c]-quinoline-1,3-dione 21a) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2SC(N)=N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H21N5O7S2/c1-11(26)32-9-6-25-18(27)15-13-10-12(34(29,30)24-4-7-31-8-5-24)2-3-14(13)23-17(33-20(21)22)16(15)19(25)28/h2-3,10H,4-9H2,1H3,(H3,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10364 (2-[7-chloro-12-(morpholine-4-sulfonyl)-3,5-dioxo-4...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Cl)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18ClN3O7S/c1-11(24)30-9-6-23-18(25)15-13-10-12(31(27,28)22-4-7-29-8-5-22)2-3-14(13)21-17(20)16(15)19(23)26/h2-3,10H,4-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10370 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CS(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O10S2/c1-13(26)35-10-7-25-21(28)18-15-11-14(37(31,32)24-5-8-34-9-6-24)3-4-16(15)23-20(19(18)22(25)29)36(30)12-17(27)33-2/h3-4,11H,5-10,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	352	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10371 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CS(=O)(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O11S2/c1-13(26)36-10-7-25-21(28)18-15-11-14(38(32,33)24-5-8-35-9-6-24)3-4-16(15)23-20(19(18)22(25)29)37(30,31)12-17(27)34-2/h3-4,11H,5-10,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189893 (CHEMBL3828679) Show SMILES [Br-].CCCCCCCCCC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C24H41N2O4.BrH/c1-7-8-9-10-11-12-13-14-18(2)23-28-16-20-15-26(6)19(3)22(21(20)17-29-23)30-24(27)25(4)5;/h15,18,23H,7-14,16-17H2,1-6H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189893 (CHEMBL3828679) Show SMILES [Br-].CCCCCCCCCC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C24H41N2O4.BrH/c1-7-8-9-10-11-12-13-14-18(2)23-28-16-20-15-26(6)19(3)22(21(20)17-29-23)30-24(27)25(4)5;/h15,18,23H,7-14,16-17H2,1-6H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50313079 (3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...) Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1 Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10366 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CSc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O9S2/c1-13(26)34-10-7-25-21(28)18-15-11-14(36(30,31)24-5-8-33-9-6-24)3-4-16(15)23-20(19(18)22(25)29)35-12-17(27)32-2/h3-4,11H,5-10,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189894 (CHEMBL3827011) Show SMILES [Br-].CCCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C21H35N2O4.BrH/c1-6-7-8-9-10-11-12-19-25-14-17-13-23(5)16(2)20(18(17)15-26-19)27-21(24)22(3)4;/h13,19H,6-12,14-15H2,1-5H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189894 (CHEMBL3827011) Show SMILES [Br-].CCCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C21H35N2O4.BrH/c1-6-7-8-9-10-11-12-19-25-14-17-13-23(5)16(2)20(18(17)15-26-19)27-21(24)22(3)4;/h13,19H,6-12,14-15H2,1-5H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189895 (CHEMBL3828028) Show SMILES [Br-].CCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C20H33N2O4.BrH/c1-6-7-8-9-10-11-18-24-13-16-12-22(5)15(2)19(17(16)14-25-18)26-20(23)21(3)4;/h12,18H,6-11,13-14H2,1-5H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10368 (1,4-diethyl (2R)-2-({4-[2-(acetyloxy)ethyl]-12-(mo...) Show SMILES CCOC(=O)C[C@@H](Nc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1)C(=O)OCC |r| Show InChI InChI=1S/C27H32N4O11S/c1-4-40-21(33)15-20(27(36)41-5-2)29-24-23-22(25(34)31(26(23)35)10-13-42-16(3)32)18-14-17(6-7-19(18)28-24)43(37,38)30-8-11-39-12-9-30/h6-7,14,20H,4-5,8-13,15H2,1-3H3,(H,28,29)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189895 (CHEMBL3828028) Show SMILES [Br-].CCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C20H33N2O4.BrH/c1-6-7-8-9-10-11-18-24-13-16-12-22(5)15(2)19(17(16)14-25-18)26-20(23)21(3)4;/h12,18H,6-11,13-14H2,1-5H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10363 (2-[7-hydroxy-12-(morpholine-4-sulfonyl)-3,5-dioxo-...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c(=O)[nH]c1ccc(cc21)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19N3O8S/c1-11(23)30-9-6-22-18(25)15-13-10-12(31(27,28)21-4-7-29-8-5-21)2-3-14(13)20-17(24)16(15)19(22)26/h2-3,10H,4-9H2,1H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10367 (2-[7-(morpholin-4-yl)-12-(morpholine-4-sulfonyl)-3...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2N1CCOCC1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H26N4O8S/c1-15(28)35-13-8-27-22(29)19-17-14-16(36(31,32)26-6-11-34-12-7-26)2-3-18(17)24-21(20(19)23(27)30)25-4-9-33-10-5-25/h2-3,14H,4-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10369 (2-{7-[(3-chloro-4-fluorophenyl)amino]-12-(morpholi...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Nc1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H22ClFN4O7S/c1-14(32)38-11-8-31-24(33)21-17-13-16(39(35,36)30-6-9-37-10-7-30)3-5-20(17)29-23(22(21)25(31)34)28-15-2-4-19(27)18(26)12-15/h2-5,12-13H,6-11H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189896 (CHEMBL3827624) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(OCc12)C(C)(C)C Show InChI InChI=1S/C17H27N2O4.BrH/c1-11-14(23-16(20)18(5)6)13-10-22-15(17(2,3)4)21-9-12(13)8-19(11)7;/h8,15H,9-10H2,1-7H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189892 (CHEMBL3827856) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COCOCc12 Show InChI InChI=1S/C13H19N2O4.BrH/c1-9-12(19-13(16)14(2)3)11-7-18-8-17-6-10(11)5-15(9)4;/h5H,6-8H2,1-4H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189888 (CHEMBL3827449) Show SMILES [Br-].CCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C16H25N2O4.BrH/c1-6-7-14-20-9-12-8-18(5)11(2)15(13(12)10-21-14)22-16(19)17(3)4;/h8,14H,6-7,9-10H2,1-5H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189891 (CHEMBL3828644) Show SMILES [Br-].CC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C14H21N2O4.BrH/c1-9-13(20-14(17)15(3)4)12-8-19-10(2)18-7-11(12)6-16(9)5;/h6,10H,7-8H2,1-5H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189887 (CHEMBL3827347) Show SMILES [Br-].CC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C16H25N2O4.BrH/c1-10(2)15-20-8-12-7-18(6)11(3)14(13(12)9-21-15)22-16(19)17(4)5;/h7,10,15H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189889 (CHEMBL3828273) Show SMILES [Br-].CCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C15H23N2O4.BrH/c1-6-13-19-8-11-7-17(5)10(2)14(12(11)9-20-13)21-15(18)16(3)4;/h7,13H,6,8-9H2,1-5H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189896 (CHEMBL3827624) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(OCc12)C(C)(C)C Show InChI InChI=1S/C17H27N2O4.BrH/c1-11-14(23-16(20)18(5)6)13-10-22-15(17(2,3)4)21-9-12(13)8-19(11)7;/h8,15H,9-10H2,1-7H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189888 (CHEMBL3827449) Show SMILES [Br-].CCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C16H25N2O4.BrH/c1-6-7-14-20-9-12-8-18(5)11(2)15(13(12)10-21-14)22-16(19)17(3)4;/h8,14H,6-7,9-10H2,1-5H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189892 (CHEMBL3827856) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COCOCc12 Show InChI InChI=1S/C13H19N2O4.BrH/c1-9-12(19-13(16)14(2)3)11-7-18-8-17-6-10(11)5-15(9)4;/h5H,6-8H2,1-4H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50189890 (CHEMBL3828739) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 Show InChI InChI=1S/C15H23N2O4.BrH/c1-10-13(21-14(18)16(4)5)12-9-20-15(2,3)19-8-11(12)7-17(10)6;/h7H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189889 (CHEMBL3828273) Show SMILES [Br-].CCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C15H23N2O4.BrH/c1-6-13-19-8-11-7-17(5)10(2)14(12(11)9-20-13)21-15(18)16(3)4;/h7,13H,6,8-9H2,1-5H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189887 (CHEMBL3827347) Show SMILES [Br-].CC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C16H25N2O4.BrH/c1-10(2)15-20-8-12-7-18(6)11(3)14(13(12)9-21-15)22-16(19)17(4)5;/h7,10,15H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189891 (CHEMBL3828644) Show SMILES [Br-].CC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C14H21N2O4.BrH/c1-9-13(20-14(17)15(3)4)12-8-19-10(2)18-7-11(12)6-16(9)5;/h6,10H,7-8H2,1-5H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50189890 (CHEMBL3828739) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 Show InChI InChI=1S/C15H23N2O4.BrH/c1-10-13(21-14(18)16(4)5)12-9-20-15(2,3)19-8-11(12)7-17(10)6;/h7H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair