null

SMILES: CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1

InChI Key: InChIKey=ZLDOAEZARXOVGM-QLKFWGTOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 103789   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. US Patent					Assay Description Radioligand binding assay using muscarinic receptors.				US Patent US8551978 (2013) BindingDB Entry DOI: 10.7270/Q2Q81BPC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Respiratory Company, LLC US Patent					Assay Description Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell me...				US Patent US8816088 (2014) BindingDB Entry DOI: 10.7270/Q2TQ6068
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-14.2	n/a	n/a	n/a	n/a	n/a	n/a	37
Theravance Respiratory Company, LLC US Patent					Assay Description Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...				US Patent US9394275 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SS8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Respiratory Company LLC US Patent					Assay Description compounds were performed with [3H]NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a con...				US Patent US9572802 (2017) BindingDB Entry DOI: 10.7270/Q2VH5QWS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Respiratory Company, LLC US Patent					Assay Description Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...				US Patent US9682957 (2017) BindingDB Entry DOI: 10.7270/Q23776WR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Theravance Respiratory Company, LLC US Patent					Assay Description cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P...				US Patent US9682957 (2017) BindingDB Entry DOI: 10.7270/Q23776WR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM103789 (US8551978, I-59 | US8816088, I-59 | US9394275, I-5...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(46(59)24-27-54-25-22-37(23-26-54)61-48(60)51-41-13-6-5-12-38(41)34-9-3-2-4-10-34)36-11-7-8-33(28-36)29-45(58)50-35-16-14-32(15-17-35)30-49-31-43(56)39-18-20-42(55)47-40(39)19-21-44(57)52-47/h2-21,28,37,43,49,55-56H,22-27,29-31H2,1H3,(H,50,58)(H,51,60)(H,52,57)/t43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	37
Theravance Respiratory Company, LLC US Patent					Assay Description cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P...				US Patent US9394275 (2016) BindingDB Entry DOI: 10.7270/Q2NS0SS8
					More data for this Ligand-Target Pair