Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 4759   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	21.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	31.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	80.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	99.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair