Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: P32750   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Canis lupus familiaris)	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544931 (CHEMBL4639673) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCN3CCCC3)cc2)cc1OC Show InChI InChI=1S/C26H31N3O4S/c1-31-22-11-6-19(16-23(22)32-2)17-25(30)28-26-27-18-24(34-26)20-7-9-21(10-8-20)33-15-5-14-29-12-3-4-13-29/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544933 (CHEMBL4646119) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCNC3CCN(Cc4ccccc4)CC3)cc2)cc1OC Show InChI InChI=1S/C35H42N4O4S/c1-41-31-15-10-27(22-32(31)42-2)23-34(40)38-35-37-24-33(44-35)28-11-13-30(14-12-28)43-21-7-6-18-36-29-16-19-39(20-17-29)25-26-8-4-3-5-9-26/h3-5,8-15,22,24,29,36H,6-7,16-21,23,25H2,1-2H3,(H,37,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544932 (CHEMBL4634668) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ncc(s1)-c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O4S/c1-30-21-11-8-19(16-22(21)31-2)24(29)27-25-26-17-23(33-25)18-6-9-20(10-7-18)32-15-5-14-28-12-3-4-13-28/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544930 (CHEMBL4640975) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCN3CCCC3)cc2)cc1 Show InChI InChI=1S/C25H29N3O3S/c1-30-21-9-5-19(6-10-21)17-24(29)27-25-26-18-23(32-25)20-7-11-22(12-8-20)31-16-4-15-28-13-2-3-14-28/h5-12,18H,2-4,13-17H2,1H3,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544926 (CHEMBL4644714) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCCN3CCCC3)cc2)cc1OC Show InChI InChI=1S/C28H35N3O4S/c1-33-24-13-8-21(18-25(24)34-2)19-27(32)30-28-29-20-26(36-28)22-9-11-23(12-10-22)35-17-7-3-4-14-31-15-5-6-16-31/h8-13,18,20H,3-7,14-17,19H2,1-2H3,(H,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544927 (CHEMBL4648831) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCN3CCCC3)cc2)cc1OC Show InChI InChI=1S/C27H33N3O4S/c1-32-23-12-7-20(17-24(23)33-2)18-26(31)29-27-28-19-25(35-27)21-8-10-22(11-9-21)34-16-6-5-15-30-13-3-4-14-30/h7-12,17,19H,3-6,13-16,18H2,1-2H3,(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544935 (CHEMBL4638000) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCSc3ccncc3)cc2)cc1OC Show InChI InChI=1S/C28H29N3O4S2/c1-33-24-10-5-20(17-25(24)34-2)18-27(32)31-28-30-19-26(37-28)21-6-8-22(9-7-21)35-15-3-4-16-36-23-11-13-29-14-12-23/h5-14,17,19H,3-4,15-16,18H2,1-2H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544929 (CHEMBL4638435) Show SMILES COc1cc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCN3CCCC3)cc2)cc(OC)c1OC Show InChI InChI=1S/C27H33N3O5S/c1-32-22-15-19(16-23(33-2)26(22)34-3)17-25(31)29-27-28-18-24(36-27)20-7-9-21(10-8-20)35-14-6-13-30-11-4-5-12-30/h7-10,15-16,18H,4-6,11-14,17H2,1-3H3,(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544928 (CHEMBL4645455) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCN3CCCC3)cc2)cc1OC Show InChI InChI=1S/C25H29N3O4S/c1-30-21-10-5-18(15-22(21)31-2)16-24(29)27-25-26-17-23(33-25)19-6-8-20(9-7-19)32-14-13-28-11-3-4-12-28/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544934 (CHEMBL4645093) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2)cc1OC Show InChI InChI=1S/C34H40N4O4S/c1-40-30-15-10-27(22-31(30)41-2)23-33(39)36-34-35-24-32(43-34)28-11-13-29(14-12-28)42-21-7-6-16-37-17-19-38(20-18-37)25-26-8-4-3-5-9-26/h3-5,8-15,22,24H,6-7,16-21,23,25H2,1-2H3,(H,35,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50544936 (CHEMBL4649371) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCN3CCCCC3)cc2)cc1OC Show InChI InChI=1S/C28H35N3O4S/c1-33-24-13-8-21(18-25(24)34-2)19-27(32)30-28-29-20-26(36-28)22-9-11-23(12-10-22)35-17-7-6-16-31-14-4-3-5-15-31/h8-13,18,20H,3-7,14-17,19H2,1-2H3,(H,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair
Cholinesterase (Canis lupus familiaris)	BDBM50199522 ((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair