Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50017143   

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))	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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178133 (1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2-(1H)-ylide...) Show SMILES CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)ccc3[n+]2CC)C=Cc2ccccc12 |c:68| Show InChI InChI=1S/C55H63N9O6/c1-3-62-44(25-22-41-13-5-7-18-48(41)62)14-11-15-45-26-23-42-39-43(24-27-49(42)63(45)4-2)58-52(66)21-10-9-20-51(65)56-29-35-69-37-38-70-36-34-60-30-32-61(33-31-60)40-53(67)64-50-19-8-6-16-46(50)55(68)59-47-17-12-28-57-54(47)64/h5-8,11-19,22-28,39H,3-4,9-10,20-21,29-38,40H2,1-2H3,(H2-,56,58,59,65,66,68)/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178130 (CHEMBL220095 | RR(17)PZ) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(32.33,-2.99,;31.57,-4.32,;32.34,-5.66,;33.88,-5.65,;34.65,-4.31,;31.58,-6.99,;30.04,-7,;29.29,-8.32,;30.05,-9.64,;29.27,-10.98,;27.73,-10.98,;27.75,-12.52,;26.43,-13.3,;25.09,-12.54,;25.07,-11.01,;26.39,-10.22,;26.36,-8.68,;26.35,-7.14,;24.82,-8.7,;27.9,-8.67,;23.77,-13.32,;24.55,-14.65,;22.99,-11.99,;22.44,-14.1,;21.1,-13.34,;19.77,-14.12,;18.43,-13.36,;17.11,-14.14,;15.77,-13.38,;14.44,-14.16,;14.45,-15.7,;13.1,-13.4,;11.77,-14.18,;10.43,-13.42,;9.1,-14.2,;7.77,-13.44,;6.44,-14.21,;5.1,-13.45,;3.77,-14.23,;2.43,-13.47,;1.1,-14.25,;1.11,-15.79,;-.21,-16.57,;-1.54,-15.81,;-2.87,-16.59,;-2.85,-18.13,;-1.51,-18.89,;-4.18,-18.92,;-5.56,-18.23,;-5.43,-16.71,;-6.7,-15.83,;-8.09,-16.49,;-8.21,-18.02,;-6.95,-18.89,;-7.31,-20.38,;-8.81,-20.71,;-6.36,-21.6,;-4.82,-21.61,;-4.27,-23.05,;-2.75,-23.29,;-1.78,-22.09,;-2.33,-20.66,;-3.84,-20.42,;-1.57,-14.27,;-.24,-13.49,;30.05,-12.3,;29.27,-13.63,;30.04,-14.97,;31.59,-14.97,;32.36,-13.64,;31.6,-12.31,;32.36,-10.97,;31.58,-9.64,;32.34,-8.32,;32.36,-16.31,;31.59,-17.64,;32.36,-18.97,;33.9,-16.31,;34.67,-17.64,)| Show InChI InChI=1S/C57H71N9O11S2/c1-5-64(6-2)41-19-22-45-50(37-41)77-51-38-42(65(7-3)8-4)20-23-46(51)55(45)47-24-21-43(39-52(47)79(72,73)74)78(70,71)60-26-13-9-10-18-53(67)58-27-33-75-35-36-76-34-32-62-28-30-63(31-29-62)40-54(68)66-49-17-12-11-15-44(49)57(69)61-48-16-14-25-59-56(48)66/h11-12,14-17,19-25,37-39,60H,5-10,13,18,26-36,40H2,1-4H3,(H2-,58,61,67,69,72,73,74)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178128 (Bo(15)PZ | CHEMBL198982) Show SMILES F[B-]1(F)n2c(CCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)ccc2C=C2C=CC(c3cccs3)=[N+]12 |c:57,t:55,65| Show InChI InChI=1S/C44H50BF2N9O4S/c46-45(47)55-32(15-16-33(55)30-34-17-19-38(56(34)45)39-13-9-29-61-39)18-20-41(58)49-21-5-1-2-14-40(57)48-22-6-7-24-52-25-27-53(28-26-52)31-42(59)54-37-12-4-3-10-35(37)44(60)51-36-11-8-23-50-43(36)54/h3-4,8-13,15-17,19,23,29-30H,1-2,5-7,14,18,20-22,24-28,31H2,(H,48,57)(H,49,58)(H,51,60)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178129 (2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclo...) Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C57H73N9O10S2/c1-5-64(6-2)45-23-19-43(20-24-45)55(44-21-25-46(26-22-44)65(7-3)8-4)49-28-27-47(41-52(49)78(72,73)74)77(70,71)60-30-13-9-10-18-53(67)58-31-37-75-39-40-76-38-36-62-32-34-63(35-33-62)42-54(68)66-51-17-12-11-15-48(51)57(69)61-50-16-14-29-59-56(50)66/h11-12,14-17,19-29,41,60H,5-10,13,18,30-40,42H2,1-4H3,(H2-,58,61,67,69,72,73,74)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178132 (CHEMBL370564 | {4-[[4-(5-carboxy-pentylsulfamoyl)-...) Show SMILES CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(O)=O Show InChI InChI=1S/C33H43N3O7S2/c1-5-35(6-2)27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)36(7-3)8-4)30-22-21-29(24-31(30)45(41,42)43)44(39,40)34-23-11-9-10-12-32(37)38/h13-22,24,34H,5-12,23H2,1-4H3,(H-,37,38,41,42,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50178131 (6-[(5-carboxypentanoyl)amino]-1-ethyl-2-[(1E,3E)-3...) Show SMILES CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(O)=O)ccc3[n+]2CC)C=Cc2ccccc12 |c:31| Show InChI InChI=1S/C31H33N3O3/c1-3-33-26(19-16-23-10-5-6-13-28(23)33)11-9-12-27-20-17-24-22-25(18-21-29(24)34(27)4-2)32-30(35)14-7-8-15-31(36)37/h5-6,9-13,16-22H,3-4,7-8,14-15H2,1-2H3,(H-,32,35,36,37)/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Displacement of [3H]QNB from EGFP(delta17)human M1 receptor expressed in HEK cells				J Med Chem 48: 7847-59 (2005) Article DOI: 10.1021/jm050459+ BindingDB Entry DOI: 10.7270/Q2TB16GN
					More data for this Ligand-Target Pair