BDBM50371198 CHEMBL540131

SMILES: CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=SRSKXXPERFQRQE-UHFFFAOYSA-O

Data: 3 IC50  1 EC50

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 = 50371198   

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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50371198 (CHEMBL540131) Show SMILES CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C34H46ClN5O3/c1-4-40(5-2,6-3)22-23-43-27-18-15-25(16-19-27)34(42)36-21-11-7-8-14-32(41)38-39-33-28-12-9-10-13-30(28)37-31-24-26(35)17-20-29(31)33/h15-20,24H,4-14,21-23H2,1-3H3,(H2-,36,37,38,39,41,42)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Torpedo californica Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
					More data for this Ligand-Target Pair
Cholinergic, muscarinic (GUINEA PIG)	BDBM50371198 (CHEMBL540131) Show SMILES CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C34H46ClN5O3/c1-4-40(5-2,6-3)22-23-43-27-18-15-25(16-19-27)34(42)36-21-11-7-8-14-32(41)38-39-33-28-12-9-10-13-30(28)37-31-24-26(35)17-20-29(31)33/h15-20,24H,4-14,21-23H2,1-3H3,(H2-,36,37,38,39,41,42)/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50371198 (CHEMBL540131) Show SMILES CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C34H46ClN5O3/c1-4-40(5-2,6-3)22-23-43-27-18-15-25(16-19-27)34(42)36-21-11-7-8-14-32(41)38-39-33-28-12-9-10-13-30(28)37-31-24-26(35)17-20-29(31)33/h15-20,24H,4-14,21-23H2,1-3H3,(H2-,36,37,38,39,41,42)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50371198 (CHEMBL540131) Show SMILES CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C34H46ClN5O3/c1-4-40(5-2,6-3)22-23-43-27-18-15-25(16-19-27)34(42)36-21-11-7-8-14-32(41)38-39-33-28-12-9-10-13-30(28)37-31-24-26(35)17-20-29(31)33/h15-20,24H,4-14,21-23H2,1-3H3,(H2-,36,37,38,39,41,42)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.44	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
					More data for this Ligand-Target Pair