BDBM50082333 11-[2-(Octahydro-quinolizin-1-ylmethylsulfanyl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one::CHEMBL318316

SMILES: O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=RHVNICICUIGDJK-UHFFFAOYSA-N

Data: 3 IC50

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 = 50082333   

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 (RAT)	BDBM50082333 (11-[2-(Octahydro-quinolizin-1-ylmethylsulfanyl)-ac...) Show SMILES O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H28N4O2S/c29-22(16-31-15-17-7-6-14-27-13-4-3-10-20(17)27)28-21-11-2-1-8-18(21)24(30)26-19-9-5-12-25-23(19)28/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche - Università di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-methylscopolamine binding to muscarinic M2 receptor in rat heart.				Bioorg Med Chem Lett 9: 3031-4 (1999) BindingDB Entry DOI: 10.7270/Q2V40TD2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50082333 (11-[2-(Octahydro-quinolizin-1-ylmethylsulfanyl)-ac...) Show SMILES O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H28N4O2S/c29-22(16-31-15-17-7-6-14-27-13-4-3-10-20(17)27)28-21-11-2-1-8-18(21)24(30)26-19-9-5-12-25-23(19)28/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche - Università di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-methylscopolamine binding to muscarinic M3 receptor in submaxillary salivary glands of rats.				Bioorg Med Chem Lett 9: 3031-4 (1999) BindingDB Entry DOI: 10.7270/Q2V40TD2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50082333 (11-[2-(Octahydro-quinolizin-1-ylmethylsulfanyl)-ac...) Show SMILES O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H28N4O2S/c29-22(16-31-15-17-7-6-14-27-13-4-3-10-20(17)27)28-21-11-2-1-8-18(21)24(30)26-19-9-5-12-25-23(19)28/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche - Università di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.				Bioorg Med Chem Lett 9: 3031-4 (1999) BindingDB Entry DOI: 10.7270/Q2V40TD2
					More data for this Ligand-Target Pair