BDBM50061197 (R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-octahydro-2H-1,7-dioxa-benzo[c]phenanthren-11-one::CHEMBL109758

SMILES: CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12

InChI Key: InChIKey=NNVGQPKFTFCOLW-MUMRKEEXSA-N

Data: 2 KI

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 = 50061197   

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 (Rattus norvegicus (Rat))	BDBM50061197 ((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...) Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12 Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Binding affinity of the compound for Cannabinoid receptor 2				J Med Chem 40: 3312-8 (1997) Article DOI: 10.1021/jm970136g BindingDB Entry DOI: 10.7270/Q2V123WC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50061197 ((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...) Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12 Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Binding affinity of the compound for cannabinoid receptor 1.				J Med Chem 40: 3312-8 (1997) Article DOI: 10.1021/jm970136g BindingDB Entry DOI: 10.7270/Q2V123WC
					More data for this Ligand-Target Pair