BDBM50244242 CHEMBL4082936

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1

InChI Key: InChIKey=JRJWAARCOBEVOL-UHFFFAOYSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50244242   

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))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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]-Diprenorphine from human mu opioid receptor expressed in HEK293-TSA cell membranes after 4 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	556	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]-Diprenorphine from human mu opioid receptor expressed in HEK293-TSA cell membranes after 4 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))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	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	3.98E+4	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
Cholinesterase (Equus caballus (Horse))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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 equine BChE using BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's ...				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))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	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	200	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))	BDBM50244242 (CHEMBL4082936) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H38N4O2/c1-4-31(5-2)28(33)23-12-15-26-25(21-23)29-27(20-22-10-13-24(14-11-22)34-6-3)32(26)19-18-30-16-8-7-9-17-30/h10-15,21H,4-9,16-20H2,1-3H3	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	3.68E+4	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