null

SMILES: CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=NQNXCSBZTJTNCO-DXYQNXQJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 103801   

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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/m0/s1	PDB 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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/m0/s1	PDB 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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/m0/s1	PDB 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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/m0/s1	PDB 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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/m0/s1	PDB 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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/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	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))	BDBM103801 (US8551978, I-71 | US8816088, I-71 | US9394275, I-7...) Show SMILES CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-34(53-33-47(60)43-20-22-46(59)51-44(43)21-23-48(61)56-51)30-38-12-9-13-39(35(38)2)32-54-49(62)31-36-16-18-40(19-17-36)57(3)50(63)26-29-58-27-24-41(25-28-58)65-52(64)55-45-15-8-7-14-42(45)37-10-5-4-6-11-37/h4-23,34,41,47,53,59-60H,24-33H2,1-3H3,(H,54,62)(H,55,64)(H,56,61)/t34?,47-/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	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