BDBM50412346 CHEMBL540396

SMILES: Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1

InChI Key: InChIKey=VIOKBNDQBQFHDH-XIFFEERXSA-O

Data: 3 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 3 hits for monomerid = 50412346   

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))	BDBM50412346 (CHEMBL540396) Show SMILES Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1 |r| Show InChI InChI=1S/C39H39N5O5S2/c1-25-22-43-24-30(44(39(43)50-25)23-27-11-14-28-7-5-6-8-29(28)19-27)21-40-36(46)33(20-26-12-15-31(45)16-13-26)41-38(48)42-35-18-17-34(51-35)37(47)49-32-9-3-2-4-10-32/h5-8,11-19,22,24,32-33H,2-4,9-10,20-21,23H2,1H3,(H3-,40,41,42,45,46,47,48)/p+1/t33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0126	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50412346 (CHEMBL540396) Show SMILES Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1 |r| Show InChI InChI=1S/C39H39N5O5S2/c1-25-22-43-24-30(44(39(43)50-25)23-27-11-14-28-7-5-6-8-29(28)19-27)21-40-36(46)33(20-26-12-15-31(45)16-13-26)41-38(48)42-35-18-17-34(51-35)37(47)49-32-9-3-2-4-10-32/h5-8,11-19,22,24,32-33H,2-4,9-10,20-21,23H2,1H3,(H3-,40,41,42,45,46,47,48)/p+1/t33-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...				J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50412346 (CHEMBL540396) Show SMILES Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(s3)C(=O)OC3CCCCC3)[n+](Cc3ccc4ccccc4c3)c2s1 |r| Show InChI InChI=1S/C39H39N5O5S2/c1-25-22-43-24-30(44(39(43)50-25)23-27-11-14-28-7-5-6-8-29(28)19-27)21-40-36(46)33(20-26-12-15-31(45)16-13-26)41-38(48)42-35-18-17-34(51-35)37(47)49-32-9-3-2-4-10-32/h5-8,11-19,22,24,32-33H,2-4,9-10,20-21,23H2,1H3,(H3-,40,41,42,45,46,47,48)/p+1/t33-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 assessed as inhibition of acetylcholin...				J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS
					More data for this Ligand-Target Pair