Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'li' and Initial = 'mx'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50393864 (CHEMBL2158116) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0447	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393868 (CHEMBL2158112) Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.355	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393858 (CHEMBL2158122) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.479	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393867 (CHEMBL2158113) Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393870 (CHEMBL2158110) Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.603	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50393857 (CHEMBL2158123) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-16-28(37)35-30-34-27(20-38-30)21-12-14-22(31)15-13-21)18-7-17-32-29-23-8-3-5-10-25(23)33-26-11-6-4-9-24(26)29/h3,5,8,10,12-15,20H,2,4,6-7,9,11,16-19H2,1H3,(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393859 (CHEMBL2158121) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393855 (CHEMBL2158125) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Competitive inhibition of androgen binding to androgen receptor (unknown origin) by invitrogen polar screen assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50393862 (CHEMBL2158118) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393866 (CHEMBL2158114) Show SMILES Clc1ccc(cc1)-c1csc(NC(=O)CCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)n1 Show InChI InChI=1S/C30H32ClN5O2S/c31-21-13-11-20(12-14-21)26-19-39-30(35-26)36-28(38)16-15-27(37)32-17-5-6-18-33-29-22-7-1-3-9-24(22)34-25-10-4-2-8-23(25)29/h1,3,7,9,11-14,19H,2,4-6,8,10,15-18H2,(H,32,37)(H,33,34)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393856 (CHEMBL2158124) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C31H37N5OS/c1-2-36(21-18-29(37)35-31-34-28(22-38-31)23-12-4-3-5-13-23)20-11-10-19-32-30-24-14-6-8-16-26(24)33-27-17-9-7-15-25(27)30/h3-6,8,12-14,16,22H,2,7,9-11,15,17-21H2,1H3,(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393861 (CHEMBL2158119) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-29(37)35-31-34-28(21-39-31)22-14-16-23(38-2)17-15-22)19-9-8-18-32-30-24-10-4-6-12-26(24)33-27-13-7-5-11-25(27)30/h4,6,10,12,14-17,21H,3,5,7-9,11,13,18-20H2,1-2H3,(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393854 (CHEMBL2158126) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H36ClN5OS/c1-2-37(20-17-29(38)36-31-35-28(21-39-31)22-13-15-23(32)16-14-22)19-8-7-18-33-30-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)30/h3,5,9,11,13-16,21H,2,4,6-8,10,12,17-20H2,1H3,(H,33,34)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.7	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	64.6	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393868 (CHEMBL2158112) Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72.4	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393860 (CHEMBL2158120) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77.6	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393853 (CHEMBL2158127) Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C32H39N5OS/c1-2-37(22-30(38)36-32-35-29(23-39-32)24-14-6-5-7-15-24)21-13-4-3-12-20-33-31-25-16-8-10-18-27(25)34-28-19-11-9-17-26(28)31/h5-8,10,14-16,18,23H,2-4,9,11-13,17,19-22H2,1H3,(H,33,34)(H,35,36,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393858 (CHEMBL2158122) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97.7	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393864 (CHEMBL2158116) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393856 (CHEMBL2158124) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C31H37N5OS/c1-2-36(21-18-29(37)35-31-34-28(22-38-31)23-12-4-3-5-13-23)20-11-10-19-32-30-24-14-6-8-16-26(24)33-27-17-9-7-15-25(27)30/h3-6,8,12-14,16,22H,2,7,9-11,15,17-21H2,1H3,(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393854 (CHEMBL2158126) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H36ClN5OS/c1-2-37(20-17-29(38)36-31-35-28(21-39-31)22-13-15-23(32)16-14-22)19-8-7-18-33-30-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)30/h3,5,9,11,13-16,21H,2,4,6-8,10,12,17-20H2,1H3,(H,33,34)(H,35,36,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393852 (CHEMBL2158128) Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C33H41N5O2S/c1-3-38(22-31(39)37-33-36-30(23-41-33)24-16-18-25(40-2)19-17-24)21-11-5-4-10-20-34-32-26-12-6-8-14-28(26)35-29-15-9-7-13-27(29)32/h6,8,12,14,16-19,23H,3-5,7,9-11,13,15,20-22H2,1-2H3,(H,34,35)(H,36,37,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393862 (CHEMBL2158118) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393863 (CHEMBL2158117) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C30H35N5O2S/c1-3-35(19-28(36)34-30-33-27(20-38-30)21-13-15-22(37-2)16-14-21)18-8-17-31-29-23-9-4-6-11-25(23)32-26-12-7-5-10-24(26)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,31,32)(H,33,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393867 (CHEMBL2158113) Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393855 (CHEMBL2158125) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393859 (CHEMBL2158121) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393865 (CHEMBL2158115) Show SMILES O=C(CCC(=O)Nc1nc2CCCCc2s1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H35N5O2S/c34-25(15-16-26(35)33-28-32-23-13-5-6-14-24(23)36-28)29-17-7-8-18-30-27-19-9-1-3-11-21(19)31-22-12-4-2-10-20(22)27/h1,3,9,11H,2,4-8,10,12-18H2,(H,29,34)(H,30,31)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393869 (CHEMBL2158111) Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N5O2S/c36-27(16-8-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393853 (CHEMBL2158127) Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C32H39N5OS/c1-2-37(22-30(38)36-32-35-29(23-39-32)24-14-6-5-7-15-24)21-13-4-3-12-20-33-31-25-16-8-10-18-27(25)34-28-19-11-9-17-26(28)31/h5-8,10,14-16,18,23H,2-4,9,11-13,17,19-22H2,1H3,(H,33,34)(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393870 (CHEMBL2158110) Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114395 (CHEMBL3605564) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23| Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1	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	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393852 (CHEMBL2158128) Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C33H41N5O2S/c1-3-38(22-31(39)37-33-36-30(23-41-33)24-16-18-25(40-2)19-17-24)21-11-5-4-10-20-34-32-26-12-6-8-14-28(26)35-29-15-9-7-13-27(29)32/h6,8,12,14,16-19,23H,3-5,7,9-11,13,15,20-22H2,1-2H3,(H,34,35)(H,36,37,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114397 (CHEMBL3605563) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27| Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1	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	620	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114395 (CHEMBL3605564) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23| Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1	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	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114395 (CHEMBL3605564) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23| Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1	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	770	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114397 (CHEMBL3605563) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27| Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393857 (CHEMBL2158123) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-16-28(37)35-30-34-27(20-38-30)21-12-14-22(31)15-13-21)18-7-17-32-29-23-8-3-5-10-25(23)33-26-11-6-4-9-24(26)29/h3,5,8,10,12-15,20H,2,4,6-7,9,11,16-19H2,1H3,(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393865 (CHEMBL2158115) Show SMILES O=C(CCC(=O)Nc1nc2CCCCc2s1)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H35N5O2S/c34-25(15-16-26(35)33-28-32-23-13-5-6-14-24(23)36-28)29-17-7-8-18-30-27-19-9-1-3-11-21(19)31-22-12-4-2-10-20(22)27/h1,3,9,11H,2,4-8,10,12-18H2,(H,29,34)(H,30,31)(H,32,33,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393866 (CHEMBL2158114) Show SMILES Clc1ccc(cc1)-c1csc(NC(=O)CCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)n1 Show InChI InChI=1S/C30H32ClN5O2S/c31-21-13-11-20(12-14-21)26-19-39-30(35-26)36-28(38)16-15-27(37)32-17-5-6-18-33-29-22-7-1-3-9-24(22)34-25-10-4-2-8-23(25)29/h1,3,7,9,11-14,19H,2,4-6,8,10,15-18H2,(H,32,37)(H,33,34)(H,35,36,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393863 (CHEMBL2158117) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C30H35N5O2S/c1-3-35(19-28(36)34-30-33-27(20-38-30)21-13-15-22(37-2)16-14-21)18-8-17-31-29-23-9-4-6-11-25(23)32-26-12-7-5-10-24(26)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,31,32)(H,33,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114397 (CHEMBL3605563) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27| Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1	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	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393860 (CHEMBL2158120) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50393861 (CHEMBL2158119) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1 Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-29(37)35-31-34-28(21-39-31)22-14-16-23(38-2)17-15-22)19-9-8-18-32-30-24-10-4-6-12-26(24)33-27-13-7-5-11-25(27)30/h4,6,10,12,14-17,21H,3,5,7-9,11,13,18-20H2,1-2H3,(H,32,33)(H,34,35,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50393869 (CHEMBL2158111) Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N5O2S/c36-27(16-8-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50112125 (CHEMBL3605562) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27| Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7,9-10,22-23,25-26,37-39H,8,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50114392 (CHEMBL3605560) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23| Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6-7,9,21-22,24,34-36H,8,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/m0/s1	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50112125 (CHEMBL3605562) Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27| Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7,9-10,22-23,25-26,37-39H,8,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay				J Med Chem 58: 6984-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00867 BindingDB Entry DOI: 10.7270/Q2GF0W97
					More data for this Ligand-Target Pair

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