Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50038449   

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 M4 (Homo sapiens (Human))	BDBM50376590 (CHEMBL402207) Show SMILES C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(CC1)C1CC[N+](C)(CCCC(O)(c2ccccc2)c2ccccc2)CC1 |(6.92,-12.95,;7.69,-11.62,;6.35,-10.87,;6.33,-9.33,;4.99,-8.57,;4.97,-7.03,;4.94,-5.48,;6.5,-7,;7.3,-8.33,;8.83,-8.3,;9.58,-6.95,;8.78,-5.63,;7.25,-5.66,;3.44,-7.08,;2.63,-5.77,;1.1,-5.81,;.36,-7.17,;1.18,-8.48,;2.71,-8.43,;8.45,-12.95,;9.99,-12.97,;10.77,-11.64,;10.01,-10.29,;8.47,-10.29,;12.31,-11.65,;13.06,-12.99,;14.6,-13,;15.38,-11.68,;16.47,-10.58,;16.69,-12.49,;16.64,-14.03,;17.95,-14.84,;17.9,-16.38,;17.86,-17.91,;16.36,-16.34,;15.63,-14.98,;14.09,-14.94,;13.28,-16.25,;14.02,-17.61,;15.56,-17.65,;19.43,-16.44,;20.16,-17.8,;21.69,-17.85,;22.51,-16.55,;21.78,-15.18,;20.25,-15.13,;14.62,-10.33,;13.08,-10.32,)| Show InChI InChI=1S/C44H58N2O2/c1-45(31-15-29-43(47,39-17-7-3-8-18-39)40-19-9-4-10-20-40)33-25-37(26-34-45)38-27-35-46(2,36-28-38)32-16-30-44(48,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,17-24,37-38,47-48H,15-16,25-36H2,1-2H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...				Bioorg Med Chem Lett 18: 2972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.061 BindingDB Entry DOI: 10.7270/Q2MK6DSM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50071171 (9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...) Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...				Bioorg Med Chem Lett 18: 2972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.061 BindingDB Entry DOI: 10.7270/Q2MK6DSM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50376591 (CHEMBL403773) Show SMILES OC(CCCN1CCC(CC1)C1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C42H52N2O2/c45-41(37-15-5-1-6-16-37,38-17-7-2-8-18-38)27-13-29-43-31-23-35(24-32-43)36-25-33-44(34-26-36)30-14-28-42(46,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-12,15-22,35-36,45-46H,13-14,23-34H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	138	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...				Bioorg Med Chem Lett 18: 2972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.061 BindingDB Entry DOI: 10.7270/Q2MK6DSM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50071171 (9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...) Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...				Bioorg Med Chem Lett 18: 2972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.061 BindingDB Entry DOI: 10.7270/Q2MK6DSM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50376590 (CHEMBL402207) Show SMILES C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(CC1)C1CC[N+](C)(CCCC(O)(c2ccccc2)c2ccccc2)CC1 |(6.92,-12.95,;7.69,-11.62,;6.35,-10.87,;6.33,-9.33,;4.99,-8.57,;4.97,-7.03,;4.94,-5.48,;6.5,-7,;7.3,-8.33,;8.83,-8.3,;9.58,-6.95,;8.78,-5.63,;7.25,-5.66,;3.44,-7.08,;2.63,-5.77,;1.1,-5.81,;.36,-7.17,;1.18,-8.48,;2.71,-8.43,;8.45,-12.95,;9.99,-12.97,;10.77,-11.64,;10.01,-10.29,;8.47,-10.29,;12.31,-11.65,;13.06,-12.99,;14.6,-13,;15.38,-11.68,;16.47,-10.58,;16.69,-12.49,;16.64,-14.03,;17.95,-14.84,;17.9,-16.38,;17.86,-17.91,;16.36,-16.34,;15.63,-14.98,;14.09,-14.94,;13.28,-16.25,;14.02,-17.61,;15.56,-17.65,;19.43,-16.44,;20.16,-17.8,;21.69,-17.85,;22.51,-16.55,;21.78,-15.18,;20.25,-15.13,;14.62,-10.33,;13.08,-10.32,)| Show InChI InChI=1S/C44H58N2O2/c1-45(31-15-29-43(47,39-17-7-3-8-18-39)40-19-9-4-10-20-40)33-25-37(26-34-45)38-27-35-46(2,36-28-38)32-16-30-44(48,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,17-24,37-38,47-48H,15-16,25-36H2,1-2H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...				Bioorg Med Chem Lett 18: 2972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.061 BindingDB Entry DOI: 10.7270/Q2MK6DSM
					More data for this Ligand-Target Pair