BDBM50084440 CHEMBL3426690

SMILES: O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1Cl)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=NUZGHPRAJRDAHI-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 = 50084440   

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))	BDBM50084440 (CHEMBL3426690) Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1Cl)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H40ClN5O6/c40-32-22-27(11-10-26(32)23-41-24-35(47)30-12-14-34(46)38-31(30)13-15-36(48)44-38)42-37(49)18-21-45-19-16-28(17-20-45)51-39(50)43-33-9-5-4-8-29(33)25-6-2-1-3-7-25/h1-15,22,28,35,41,46-47H,16-21,23-24H2,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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))	BDBM50084440 (CHEMBL3426690) Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1Cl)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H40ClN5O6/c40-32-22-27(11-10-26(32)23-41-24-35(47)30-12-14-34(46)38-31(30)13-15-36(48)44-38)42-37(49)18-21-45-19-16-28(17-20-45)51-39(50)43-33-9-5-4-8-29(33)25-6-2-1-3-7-25/h1-15,22,28,35,41,46-47H,16-21,23-24H2,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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