BDBM50291394 CHEMBL353140::N-Ethyl-4-fluoro-N-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-benzamide

SMILES: CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=YGSXHXIKDSYAGK-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 = 50291394   

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))	BDBM50291394 (CHEMBL353140 | N-Ethyl-4-fluoro-N-(4-{1-[2-oxo-2-(...) Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C33H37FN4O3/c1-2-37(33(41)25-14-16-26(34)17-15-25)20-8-7-9-24-18-21-36(22-19-24)23-31(39)38-29-12-5-3-10-27(29)32(40)35-28-11-4-6-13-30(28)38/h3-6,10-17,24H,2,7-9,18-23H2,1H3,(H,35,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity against muscarinic receptor subtype 2 (M2)				Bioorg Med Chem Lett 7: 799-804 (1997) Article DOI: 10.1016/S0960-894X(97)00109-1 BindingDB Entry DOI: 10.7270/Q22N529J
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50291394 (CHEMBL353140 | N-Ethyl-4-fluoro-N-(4-{1-[2-oxo-2-(...) Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C33H37FN4O3/c1-2-37(33(41)25-14-16-26(34)17-15-25)20-8-7-9-24-18-21-36(22-19-24)23-31(39)38-29-12-5-3-10-27(29)32(40)35-28-11-4-6-13-30(28)38/h3-6,10-17,24H,2,7-9,18-23H2,1H3,(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity against muscarinic receptor subtype 3 (M3)				Bioorg Med Chem Lett 7: 799-804 (1997) Article DOI: 10.1016/S0960-894X(97)00109-1 BindingDB Entry DOI: 10.7270/Q22N529J
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50291394 (CHEMBL353140 | N-Ethyl-4-fluoro-N-(4-{1-[2-oxo-2-(...) Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C33H37FN4O3/c1-2-37(33(41)25-14-16-26(34)17-15-25)20-8-7-9-24-18-21-36(22-19-24)23-31(39)38-29-12-5-3-10-27(29)32(40)35-28-11-4-6-13-30(28)38/h3-6,10-17,24H,2,7-9,18-23H2,1H3,(H,35,40)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity against muscarinic receptor subtype 1 (M1)				Bioorg Med Chem Lett 7: 799-804 (1997) Article DOI: 10.1016/S0960-894X(97)00109-1 BindingDB Entry DOI: 10.7270/Q22N529J
					More data for this Ligand-Target Pair