BDBM103790 US8551978, I-60::US8816088, I-60::US9394275, I-60::US9572802, Compound I-60::US9682957, I-60

SMILES: CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1

InChI Key: InChIKey=AQXSFUIPLNARQT-GWHBCOKCSA-N

Data: 5 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 103790   

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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM103790 (US8551978, I-60 | US8816088, I-60 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r| Show InChI InChI=1S/C50H54N6O7/c1-32-27-43(33(2)26-36(32)30-51-31-45(58)40-16-18-44(57)49-41(40)17-19-46(59)54-49)52-47(60)29-34-10-9-13-37(28-34)55(3)48(61)22-25-56-23-20-38(21-24-56)63-50(62)53-42-15-8-7-14-39(42)35-11-5-4-6-12-35/h4-19,26-28,38,45,51,57-58H,20-25,29-31H2,1-3H3,(H,52,60)(H,53,62)(H,54,59)/t45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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