BDBM50128830 CHEMBL3629353

SMILES: O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccc(O)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=SHHHPTFIRLSTIA-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 = 50128830   

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))	BDBM50128830 (CHEMBL3629353) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccc(O)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H47ClN4O6/c39-31-24-26(12-15-33(31)44)28-10-6-7-11-32(28)41-38(48)49-27-18-22-43(23-19-27)21-9-5-3-1-2-4-8-20-40-25-35(46)29-13-16-34(45)37-30(29)14-17-36(47)42-37/h6-7,10-17,24,27,35,40,44-46H,1-5,8-9,18-23,25H2,(H,41,48)(H,42,47)/t35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 receptor by dilution method				Bioorg Med Chem Lett 25: 5121-6 (2015) BindingDB Entry DOI: 10.7270/Q2JQ12V7
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50128830 (CHEMBL3629353) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccc(O)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H47ClN4O6/c39-31-24-26(12-15-33(31)44)28-10-6-7-11-32(28)41-38(48)49-27-18-22-43(23-19-27)21-9-5-3-1-2-4-8-20-40-25-35(46)29-13-16-34(45)37-30(29)14-17-36(47)42-37/h6-7,10-17,24,27,35,40,44-46H,1-5,8-9,18-23,25H2,(H,41,48)(H,42,47)/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	PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Pfizer Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as stumulation of intracellular cAMP production				Bioorg Med Chem Lett 25: 5121-6 (2015) BindingDB Entry DOI: 10.7270/Q2JQ12V7
					More data for this Ligand-Target Pair