BDBM50514056 CHEMBL4588547

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCNc2c3CCCCc3nc3ccccc23)cc1

InChI Key: InChIKey=UIKPRYUVBQFRSX-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50514056   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50514056 (CHEMBL4588547) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C37H43N5O2/c1-4-44-28-16-13-26(14-17-28)23-35-41-33-24-27(15-18-34(33)42(35)22-19-25(2)3)37(43)39-21-20-38-36-29-9-5-7-11-31(29)40-32-12-8-6-10-30(32)36/h5,7,9,11,13-18,24-25H,4,6,8,10,12,19-23H2,1-3H3,(H,38,40)(H,39,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in human HEK cells by radioligand binding assay				J Med Chem 62: 9078-9102 (2019) Article DOI: 10.1021/acs.jmedchem.9b00623
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50514056 (CHEMBL4588547) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C37H43N5O2/c1-4-44-28-16-13-26(14-17-28)23-35-41-33-24-27(15-18-34(33)42(35)22-19-25(2)3)37(43)39-21-20-38-36-29-9-5-7-11-31(29)40-32-12-8-6-10-30(32)36/h5,7,9,11,13-18,24-25H,4,6,8,10,12,19-23H2,1-3H3,(H,38,40)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured...				J Med Chem 62: 9078-9102 (2019) Article DOI: 10.1021/acs.jmedchem.9b00623
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50514056 (CHEMBL4588547) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C37H43N5O2/c1-4-44-28-16-13-26(14-17-28)23-35-41-33-24-27(15-18-34(33)42(35)22-19-25(2)3)37(43)39-21-20-38-36-29-9-5-7-11-31(29)40-32-12-8-6-10-30(32)36/h5,7,9,11,13-18,24-25H,4,6,8,10,12,19-23H2,1-3H3,(H,38,40)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins...				J Med Chem 62: 9078-9102 (2019) Article DOI: 10.1021/acs.jmedchem.9b00623
					More data for this Ligand-Target Pair