BDBM50201280 CHEMBL394137::{3-[(2-adamantan-1-yl-ethylamino)-methyl]-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl}-dimethyl-amine

SMILES: CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1

InChI Key: InChIKey=CWHBWBZGFMIKAF-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50201280   

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 M2 (Homo sapiens (Human))	BDBM50201280 (CHEMBL394137 | {3-[(2-adamantan-1-yl-ethylamino)-m...) Show SMILES CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,7:8:11:15.14.13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C24H36N2O2/c1-26(2)24(16-27-21-5-3-4-6-22(21)28-17-24)15-25-8-7-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-6,18-20,25H,7-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50201280 (CHEMBL394137 | {3-[(2-adamantan-1-yl-ethylamino)-m...) Show SMILES CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,7:8:11:15.14.13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C24H36N2O2/c1-26(2)24(16-27-21-5-3-4-6-22(21)28-17-24)15-25-8-7-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-6,18-20,25H,7-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50201280 (CHEMBL394137 | {3-[(2-adamantan-1-yl-ethylamino)-m...) Show SMILES CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,7:8:11:15.14.13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C24H36N2O2/c1-26(2)24(16-27-21-5-3-4-6-22(21)28-17-24)15-25-8-7-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-6,18-20,25H,7-17H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 925-31 (2007) Article DOI: 10.1016/j.bmcl.2006.11.058 BindingDB Entry DOI: 10.7270/Q2DB81HZ
					More data for this Ligand-Target Pair