BDBM103752 US8551978, I-20::US8816088, I-20::US9394275, I-20::US9572802, Compound I-20::US9682957, I-20

SMILES: CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1

InChI Key: InChIKey=UMFKRZOYLNBDPB-RWYGWLOXSA-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 = 103752   

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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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	1	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))	BDBM103752 (US8551978, I-20 | US8816088, I-20 | US9394275, I-2...) Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/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	1	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