BDBM50244289 CHEMBL4086412

SMILES: CCCCCCNC(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC)cc3)nc2c1

InChI Key: InChIKey=WHYLVIPFMDFEFD-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50244289   

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))	BDBM50244289 (CHEMBL4086412) Show SMILES CCCCCCNC(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C28H39N3O2/c1-5-7-8-9-17-29-28(32)23-12-15-26-25(20-23)30-27(31(26)18-16-21(3)4)19-22-10-13-24(14-11-22)33-6-2/h10-15,20-21H,5-9,16-19H2,1-4H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50244289 (CHEMBL4086412) Show SMILES CCCCCCNC(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C28H39N3O2/c1-5-7-8-9-17-29-28(32)23-12-15-26-25(20-23)30-27(31(26)18-16-21(3)4)19-22-10-13-24(14-11-22)33-6-2/h10-15,20-21H,5-9,16-19H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	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 BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's m...				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50244289 (CHEMBL4086412) Show SMILES CCCCCCNC(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C28H39N3O2/c1-5-7-8-9-17-29-28(32)23-12-15-26-25(20-23)30-27(31(26)18-16-21(3)4)19-22-10-13-24(14-11-22)33-6-2/h10-15,20-21H,5-9,16-19H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	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 BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's m...				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244289 (CHEMBL4086412) Show SMILES CCCCCCNC(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C28H39N3O2/c1-5-7-8-9-17-29-28(32)23-12-15-26-25(20-23)30-27(31(26)18-16-21(3)4)19-22-10-13-24(14-11-22)33-6-2/h10-15,20-21H,5-9,16-19H2,1-4H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair