Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50008594   

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
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520722 (CHEMBL4554047) Show SMILES Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520723 (CHEMBL4440256) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520715 (CHEMBL4437999) Show SMILES Clc1cccc(CC2(COc3ccc(Cl)nc3)CCCNC2)c1 Show InChI InChI=1S/C18H20Cl2N2O/c19-15-4-1-3-14(9-15)10-18(7-2-8-21-12-18)13-23-16-5-6-17(20)22-11-16/h1,3-6,9,11,21H,2,7-8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520705 (CHEMBL4458658) Show SMILES OCCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C24H29ClN2O2/c25-22-9-5-8-20(13-22)15-24(10-6-11-26-18-24)19-29-23-14-21(16-27-17-23)7-3-1-2-4-12-28/h5,8-9,13-14,16-17,26,28H,1-2,4,6,10-12,15,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520710 (CHEMBL4551353) Show SMILES Clc1cccc(CC2(COc3cncnc3)CCCNC2)c1 Show InChI InChI=1S/C17H20ClN3O/c18-15-4-1-3-14(7-15)8-17(5-2-6-19-11-17)12-22-16-9-20-13-21-10-16/h1,3-4,7,9-10,13,19H,2,5-6,8,11-12H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520720 (CHEMBL4557873) Show SMILES Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-5-1-4-15(10-16)11-18(7-3-9-21-13-18)14-22-17-6-2-8-20-12-17/h1-2,4-6,8,10,12,21H,3,7,9,11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520729 (CHEMBL4541936) Show SMILES OCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C22H25ClN2O2/c23-20-7-3-6-18(11-20)13-22(8-4-9-24-16-22)17-27-21-12-19(14-25-15-21)5-1-2-10-26/h3,6-7,11-12,14-15,24,26H,2,4,8-10,13,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520732 (CHEMBL4444365) Show SMILES FC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)16-5-1-4-15(10-16)11-18(7-3-9-24-13-18)14-25-17-6-2-8-23-12-17/h1-2,4-6,8,10,12,24H,3,7,9,11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520716 (CHEMBL4467323) Show SMILES Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-6-1-4-14(17(16)20)10-18(7-3-9-22-12-18)13-23-15-5-2-8-21-11-15/h1-2,4-6,8,11,22H,3,7,9-10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520718 (CHEMBL4447538) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C18H21ClN2O/c19-16-6-4-15(5-7-16)11-18(8-2-10-21-13-18)14-22-17-3-1-9-20-12-17/h1,3-7,9,12,21H,2,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520727 (CHEMBL4537917) Show SMILES Clc1cccc(CC2(COc3ccc(Br)nc3)CCCNC2)c1 Show InChI InChI=1S/C18H20BrClN2O/c19-17-6-5-16(11-22-17)23-13-18(7-2-8-21-12-18)10-14-3-1-4-15(20)9-14/h1,3-6,9,11,21H,2,7-8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520712 (CHEMBL4556242) Show SMILES OCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C23H27ClN2O2/c24-21-8-4-7-19(12-21)14-23(9-5-10-25-17-23)18-28-22-13-20(15-26-16-22)6-2-1-3-11-27/h4,7-8,12-13,15-16,25,27H,1,3,5,9-11,14,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520706 (CHEMBL4437423) Show SMILES C(Oc1cccnc1)C1(Cc2ccc(cc2)-c2ccccc2)CCCNC1 Show InChI InChI=1S/C24H26N2O/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)16-24(13-5-15-26-18-24)19-27-23-8-4-14-25-17-23/h1-4,6-12,14,17,26H,5,13,15-16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520719 (CHEMBL4452235) Show SMILES Cc1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C19H24N2O/c1-16-5-2-6-17(11-16)12-19(8-4-10-21-14-19)15-22-18-7-3-9-20-13-18/h2-3,5-7,9,11,13,21H,4,8,10,12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520731 (CHEMBL4558905) Show SMILES FC(F)(F)c1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)16-6-4-15(5-7-16)11-18(8-2-10-24-13-18)14-25-17-3-1-9-23-12-17/h1,3-7,9,12,24H,2,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520728 (CHEMBL4447431) Show SMILES Clc1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C18H21ClN2O/c19-17-7-2-1-5-15(17)11-18(8-4-10-21-13-18)14-22-16-6-3-9-20-12-16/h1-3,5-7,9,12,21H,4,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520717 (CHEMBL4540765) Show SMILES Cc1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C19H24N2O/c1-16-5-7-17(8-6-16)12-19(9-3-11-21-14-19)15-22-18-4-2-10-20-13-18/h2,4-8,10,13,21H,3,9,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520713 (CHEMBL4444981) Show SMILES OCCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C24H29ClN2O2/c25-21-8-5-7-20(15-21)16-24(12-6-13-26-18-24)19-29-23-11-10-22(27-17-23)9-3-1-2-4-14-28/h5,7-8,10-11,15,17,26,28H,1-2,4,6,12-14,16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520707 (CHEMBL4451952) Show SMILES FC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)17-7-2-1-5-15(17)11-18(8-4-10-24-13-18)14-25-16-6-3-9-23-12-16/h1-3,5-7,9,12,24H,4,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520711 (CHEMBL4579917) Show SMILES Clc1cccc(CC2(COc3ccncc3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-4-1-3-15(11-16)12-18(7-2-8-21-13-18)14-22-17-5-9-20-10-6-17/h1,3-6,9-11,21H,2,7-8,12-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520721 (CHEMBL4448437) Show SMILES Cc1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C19H24N2O/c1-16-6-2-3-7-17(16)12-19(9-5-11-21-14-19)15-22-18-8-4-10-20-13-18/h2-4,6-8,10,13,21H,5,9,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520730 (CHEMBL4537587) Show SMILES Clc1cccc(CC2(COc3cncc(Br)c3)CCCNC2)c1 Show InChI InChI=1S/C18H20BrClN2O/c19-15-8-17(11-22-10-15)23-13-18(5-2-6-21-12-18)9-14-3-1-4-16(20)7-14/h1,3-4,7-8,10-11,21H,2,5-6,9,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520733 (CHEMBL4449862) Show SMILES Clc1ccc(C[C@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520714 (CHEMBL4533711) Show SMILES OCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C22H25ClN2O2/c23-19-6-3-5-18(13-19)14-22(10-4-11-24-16-22)17-27-21-9-8-20(25-15-21)7-1-2-12-26/h3,5-6,8-9,13,15,24,26H,2,4,10-12,14,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520708 (CHEMBL4436100) Show SMILES OCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C23H27ClN2O2/c24-20-7-4-6-19(14-20)15-23(11-5-12-25-17-23)18-28-22-10-9-21(26-16-22)8-2-1-3-13-27/h4,6-7,9-10,14,16,25,27H,1,3,5,11-13,15,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520726 (CHEMBL4520291) Show SMILES Clc1cccc(CC2(COc3ccccn3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-6-3-5-15(11-16)12-18(8-4-9-20-13-18)14-22-17-7-1-2-10-21-17/h1-3,5-7,10-11,20H,4,8-9,12-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520709 (CHEMBL4559380) Show SMILES Clc1cccc(CC2(COc3cncc(c3)-c3ccccc3)CCCNC2)c1 Show InChI InChI=1S/C24H25ClN2O/c25-22-9-4-6-19(12-22)14-24(10-5-11-26-17-24)18-28-23-13-21(15-27-16-23)20-7-2-1-3-8-20/h1-4,6-9,12-13,15-16,26H,5,10-11,14,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520704 (CHEMBL4450187) Show SMILES Clc1cccc(CC2(COc3ccc4c(c3)[nH]c3ccccc43)CCCNC2)c1 Show InChI InChI=1S/C25H25ClN2O/c26-19-6-3-5-18(13-19)15-25(11-4-12-27-16-25)17-29-20-9-10-22-21-7-1-2-8-23(21)28-24(22)14-20/h1-3,5-10,13-14,27-28H,4,11-12,15-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520724 (CHEMBL4559828) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520724 (CHEMBL4559828) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50520722 (CHEMBL4554047) Show SMILES Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR at -60 mV holding potential incubated for 1 sec followed by 60 secs compound washout				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393255 (CHEMBL2151572) Show SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(9.9,-24.54,;9.14,-23.2,;9.91,-21.88,;9.15,-20.54,;7.62,-20.54,;6.85,-21.86,;5.34,-22.17,;5.18,-23.71,;6.58,-24.33,;7.61,-23.19,;3.84,-24.47,;3.84,-26.01,;2.51,-23.7,;1.17,-24.46,;1.17,-26,;-.16,-26.76,;-1.49,-26,;-1.49,-24.46,;-.16,-23.68,;.6,-25.01,;-.89,-25.41,)| Show InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes by voltage clamp electrophysiological method				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50520725 (CHEMBL4532388) Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2CN3CCC2CC3)cn1 |r,wU:12.12,(68.2,-26.02,;66.86,-25.25,;65.53,-26.02,;64.2,-25.25,;64.2,-23.71,;65.53,-22.94,;66.86,-23.7,;62.87,-22.94,;62.87,-21.39,;61.54,-20.62,;60.22,-21.39,;58.88,-20.62,;57.54,-21.38,;57.54,-22.92,;56.21,-23.68,;54.89,-22.92,;54.89,-21.38,;56.21,-20.6,;57.04,-22.14,;55.82,-22.37,;60.21,-22.93,;61.53,-23.7,)| Show InChI InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at holding potential of -90 mV by patch clamp electrophysiological...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50061564 ((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...) Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11| Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes incubated for 90 secs followed by washout period for 5 mins by ele...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair