BDBM50084430 CHEMBL3426699

SMILES: O[C@@H](CNCc1ccc(cc1)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=MOHLSWKFSCMURH-DHUJRADRSA-N

Data: 1 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 2 hits for monomerid = 50084430   

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))	BDBM50084430 (CHEMBL3426699) Show SMILES O[C@@H](CNCc1ccc(cc1)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H41N5O6/c45-34-16-14-31(32-15-17-36(47)43-37(32)34)35(46)25-40-24-26-10-12-28(13-11-26)38(48)41-20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-17,29,35,40,45-46H,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50084430 (CHEMBL3426699) Show SMILES O[C@@H](CNCc1ccc(cc1)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H41N5O6/c45-34-16-14-31(32-15-17-36(47)43-37(32)34)35(46)25-40-24-26-10-12-28(13-11-26)38(48)41-20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-17,29,35,40,45-46H,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.501	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as cAMP accumulation using [125I]cAMP by scintillation countin...				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair