BDBM50405744 CHEMBL114885

SMILES: COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC

InChI Key: InChIKey=HXDUHTQOUIWFQN-UHFFFAOYSA-N

Data: 4 Kd

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 4 hits for monomerid = 50405744   

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 (Cavia porcellus)	BDBM50405744 (CHEMBL114885) Show SMILES COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-41(31-21-11-7-17-27-39-33-35-23-13-15-25-37(35)43-3)29-19-9-5-6-10-20-30-42(2)32-22-12-8-18-28-40-34-36-24-14-16-26-38(36)44-4/h13-16,23-26,39-40H,5-12,17-22,27-34H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist potency against carbachol induced contractions of isolated guinea pig ileum Muscarinic acetylcholine receptor				J Med Chem 32: 79-84 (1989) BindingDB Entry DOI: 10.7270/Q2N017RN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50405744 (CHEMBL114885) Show SMILES COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-41(31-21-11-7-17-27-39-33-35-23-13-15-25-37(35)43-3)29-19-9-5-6-10-20-30-42(2)32-22-12-8-18-28-40-34-36-24-14-16-26-38(36)44-4/h13-16,23-26,39-40H,5-12,17-22,27-34H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium derived by plotting log(DR - 1) vs log[antagonist]				J Med Chem 37: 3363-72 (1994) BindingDB Entry DOI: 10.7270/Q21V5G5G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50405744 (CHEMBL114885) Show SMILES COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-41(31-21-11-7-17-27-39-33-35-23-13-15-25-37(35)43-3)29-19-9-5-6-10-20-30-42(2)32-22-12-8-18-28-40-34-36-24-14-16-26-38(36)44-4/h13-16,23-26,39-40H,5-12,17-22,27-34H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist potency against muscarinic receptors was assed by antagonism of carbachol induced inhibition of electrically stimulated guinea pig atria				J Med Chem 32: 79-84 (1989) BindingDB Entry DOI: 10.7270/Q2N017RN
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Cavia porcellus)	BDBM50405744 (CHEMBL114885) Show SMILES COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H66N4O2/c1-41(31-21-11-7-17-27-39-33-35-23-13-15-25-37(35)43-3)29-19-9-5-6-10-20-30-42(2)32-22-12-8-18-28-40-34-36-24-14-16-26-38(36)44-4/h13-16,23-26,39-40H,5-12,17-22,27-34H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonistic activity against M3 muscarinic receptor in guinea pig left ileum derived by plotting log(DR - 1) vs log[antagonist]				J Med Chem 37: 3363-72 (1994) BindingDB Entry DOI: 10.7270/Q21V5G5G
					More data for this Ligand-Target Pair