Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037638   

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 M1 (Homo sapiens (Human))	BDBM50175147 (CHEMBL197024 | N-(bis(4-fluorophenyl)methyl)-8-met...) Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7| Show InChI InChI=1S/C21H24F2N2/c1-25-19-10-11-20(25)13-18(12-19)24-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21,24H,10-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175158 (CHEMBL198807 | N-((4-chlorophenyl)(phenyl)methyl)-...) Show SMILES CN1C2CCC1CC(C2)NC(c1ccccc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1| Show InChI InChI=1S/C21H25ClN2/c1-24-19-11-12-20(24)14-18(13-19)23-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21,23H,11-14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM86701 (3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...) Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175156 (CHEMBL383142 | N-(bis(3,4-dichlorophenyl)methyl)-8...) Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1| Show InChI InChI=1S/C21H22Cl4N2/c1-27-15-4-5-16(27)11-14(10-15)26-21(12-2-6-17(22)19(24)8-12)13-3-7-18(23)20(25)9-13/h2-3,6-9,14-16,21,26H,4-5,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175149 (CHEMBL372759 | N-(bis(4-fluorophenyl)methyl)-N,8-d...) Show SMILES CN(C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2C |TLB:1:17:20.21:24,25:24:20.21:23.18.17| Show InChI InChI=1S/C22H26F2N2/c1-25-19-11-12-20(25)14-21(13-19)26(2)22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h3-10,19-22H,11-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175148 (CHEMBL439865 | N-(bis(4-chlorophenyl)methyl)-8-met...) Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1| Show InChI InChI=1S/C21H24Cl2N2/c1-25-19-10-11-20(25)13-18(12-19)24-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21,24H,10-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175147 (CHEMBL197024 | N-(bis(4-fluorophenyl)methyl)-8-met...) Show SMILES CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7| Show InChI InChI=1S/C21H24F2N2/c1-25-19-10-11-20(25)13-18(12-19)24-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21,24H,10-13H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175153 (8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicycl...) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C23H26F2N2/c1-2-13-27-21-11-12-22(27)15-20(14-21)26-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23,26H,1,11-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175146 (CHEMBL372298 | N-(bis(4-fluorophenyl)methyl)-8-aza...) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:12.13:16| Show InChI InChI=1S/C20H22F2N2/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23-24H,9-12H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175152 (8-(2-(1H-indol-3-yl)ethyl)-N-(bis(4-fluorophenyl)m...) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16| Show InChI InChI=1S/C30H31F2N3/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)34-25-17-26-13-14-27(18-25)35(26)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33-34H,13-18H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175150 (CHEMBL197707 | N-(bis(4-fluorophenyl)methyl)-8-(4-...) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C30H34F2N2/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)33-27-20-28-17-18-29(21-27)34(28)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30,33H,4-5,8,17-21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175157 (CHEMBL371932 | N-(bis(4-fluorophenyl)methyl)-8-but...) Show SMILES CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4| Show InChI InChI=1S/C24H30F2N2/c1-2-3-14-28-22-12-13-23(28)16-21(15-22)27-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24,27H,2-3,12-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175145 (8-(2-aminoethyl)-N-(bis(4-fluorophenyl)methyl)-8-a...) Show SMILES NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H27F2N3/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)26-19-13-20-9-10-21(14-19)27(20)12-11-25/h1-8,19-22,26H,9-14,25H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50175154 (3-(3-(bis(4-fluorophenyl)methylamino)-8-aza-bicycl...) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C29H31F2N3O/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)33-25-18-26-14-15-27(19-25)34(26)17-16-28(35)32-24-4-2-1-3-5-24/h1-13,25-27,29,33H,14-19H2,(H,32,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse--Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from Muscarinic receptor M1				Bioorg Med Chem Lett 15: 5419-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.111 BindingDB Entry DOI: 10.7270/Q2KP82XR
					More data for this Ligand-Target Pair