BDBM50257681 CHEMBL4102975

SMILES: CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1

InChI Key: InChIKey=HABFUPBJMSIHGS-YVWKXTFCSA-N

Data: 2 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 2 hits for monomerid = 50257681   

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 1 (Homo sapiens (Human))	BDBM50257681 (CHEMBL4102975) Show SMILES CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C22H36O3/c1-4-5-12-22(2,3)17-9-11-19(21(25)14-17)20-15-18(24)10-8-16(20)7-6-13-23/h9,11,14,16,18,20,23-25H,4-8,10,12-13,15H2,1-3H3/t16-,18-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50257681 (CHEMBL4102975) Show SMILES CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C22H36O3/c1-4-5-12-22(2,3)17-9-11-19(21(25)14-17)20-15-18(24)10-8-16(20)7-6-13-23/h9,11,14,16,18,20,23-25H,4-8,10,12-13,15H2,1-3H3/t16-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair