BDBM103765 US8551978, I-34::US8816088, I-34::US9682957, I-34

SMILES: CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

InChI Key: InChIKey=JORDOGYMROOYCP-SJARJILFSA-N

Data: 3 KI  1 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 4 hits for monomerid = 103765   

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))	BDBM103765 (US8551978, I-34 | US8816088, I-34 | US9682957, I-3...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C49H52N6O7/c1-32-12-15-35(48(60)51-36-16-13-33(14-17-36)22-26-50-31-44(57)39-18-20-43(56)47-40(39)19-21-45(58)53-47)30-42(32)54(2)46(59)25-29-55-27-23-37(24-28-55)62-49(61)52-41-11-7-6-10-38(41)34-8-4-3-5-9-34/h3-21,30,37,44,50,56-57H,22-29,31H2,1-2H3,(H,51,60)(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))	BDBM103765 (US8551978, I-34 | US8816088, I-34 | US9682957, I-3...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C49H52N6O7/c1-32-12-15-35(48(60)51-36-16-13-33(14-17-36)22-26-50-31-44(57)39-18-20-43(56)47-40(39)19-21-45(58)53-47)30-42(32)54(2)46(59)25-29-55-27-23-37(24-28-55)62-49(61)52-41-11-7-6-10-38(41)34-8-4-3-5-9-34/h3-21,30,37,44,50,56-57H,22-29,31H2,1-2H3,(H,51,60)(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))	BDBM103765 (US8551978, I-34 | US8816088, I-34 | US9682957, I-3...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C49H52N6O7/c1-32-12-15-35(48(60)51-36-16-13-33(14-17-36)22-26-50-31-44(57)39-18-20-43(56)47-40(39)19-21-45(58)53-47)30-42(32)54(2)46(59)25-29-55-27-23-37(24-28-55)62-49(61)52-41-11-7-6-10-38(41)34-8-4-3-5-9-34/h3-21,30,37,44,50,56-57H,22-29,31H2,1-2H3,(H,51,60)(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))	BDBM103765 (US8551978, I-34 | US8816088, I-34 | US9682957, I-3...) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C49H52N6O7/c1-32-12-15-35(48(60)51-36-16-13-33(14-17-36)22-26-50-31-44(57)39-18-20-43(56)47-40(39)19-21-45(58)53-47)30-42(32)54(2)46(59)25-29-55-27-23-37(24-28-55)62-49(61)52-41-11-7-6-10-38(41)34-8-4-3-5-9-34/h3-21,30,37,44,50,56-57H,22-29,31H2,1-2H3,(H,51,60)(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