BDBM103793 US8551978, I-63::US8816088, I-63::US9394275, I-63::US9572802, Compound I-63::US9682957, I-63

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

InChI Key: InChIKey=ICICBRGBJXHGJJ-SJARJILFSA-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 = 103793   

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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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))	BDBM103793 (US8551978, I-63 | US8816088, I-63 | US9394275, I-6...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r| Show InChI InChI=1S/C49H52N6O7/c1-54(47(60)25-29-55-27-23-38(24-28-55)62-49(61)52-42-13-6-5-12-39(42)35-9-3-2-4-10-35)37-11-7-8-34(30-37)31-46(59)51-36-16-14-33(15-17-36)22-26-50-32-44(57)40-18-20-43(56)48-41(40)19-21-45(58)53-48/h2-21,30,38,44,50,56-57H,22-29,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/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