BDBM50128834 CHEMBL3629359

SMILES: O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)[C@@](O)(C2CCCCC2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key: InChIKey=JIFRXMWKDXCKDK-IOPIWRGFSA-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 = 50128834   

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))	BDBM50128834 (CHEMBL3629359) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)[C@@](O)(C2CCCCC2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H58N6O4/c48-36-20-18-34(35-19-21-38(50)44-39(35)36)37(49)28-42-24-12-4-2-1-3-5-13-25-46-26-22-31(23-27-46)29-47-30-43-40(45-47)41(51,32-14-8-6-9-15-32)33-16-10-7-11-17-33/h6,8-9,14-15,18-21,30-31,33,37,42,48-49,51H,1-5,7,10-13,16-17,22-29H2,(H,44,50)/t37-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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))	BDBM50128834 (CHEMBL3629359) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)[C@@](O)(C2CCCCC2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H58N6O4/c48-36-20-18-34(35-19-21-38(50)44-39(35)36)37(49)28-42-24-12-4-2-1-3-5-13-25-46-26-22-31(23-27-46)29-47-30-43-40(45-47)41(51,32-14-8-6-9-15-32)33-16-10-7-11-17-33/h6,8-9,14-15,18-21,30-31,33,37,42,48-49,51H,1-5,7,10-13,16-17,22-29H2,(H,44,50)/t37-,41-/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	14	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