BDBM50244302 CHEMBL4061358

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

InChI Key: InChIKey=XHAKZGSSIHVURR-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 = 50244302   

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))	BDBM50244302 (CHEMBL4061358) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 Show InChI InChI=1S/C27H37N3O2/c1-6-32-23-10-7-21(8-11-23)17-26-29-24-18-22(27(31)28-15-13-19(2)3)9-12-25(24)30(26)16-14-20(4)5/h7-12,18-20H,6,13-17H2,1-5H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	764	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))	BDBM50244302 (CHEMBL4061358) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 Show InChI InChI=1S/C27H37N3O2/c1-6-32-23-10-7-21(8-11-23)17-26-29-24-18-22(27(31)28-15-13-19(2)3)9-12-25(24)30(26)16-14-20(4)5/h7-12,18-20H,6,13-17H2,1-5H3,(H,28,31)	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	1.59E+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))	BDBM50244302 (CHEMBL4061358) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 Show InChI InChI=1S/C27H37N3O2/c1-6-32-23-10-7-21(8-11-23)17-26-29-24-18-22(27(31)28-15-13-19(2)3)9-12-25(24)30(26)16-14-20(4)5/h7-12,18-20H,6,13-17H2,1-5H3,(H,28,31)	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	1.60E+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))	BDBM50244302 (CHEMBL4061358) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 Show InChI InChI=1S/C27H37N3O2/c1-6-32-23-10-7-21(8-11-23)17-26-29-24-18-22(27(31)28-15-13-19(2)3)9-12-25(24)30(26)16-14-20(4)5/h7-12,18-20H,6,13-17H2,1-5H3,(H,28,31)	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	794	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