BDBM50083858 CHEMBL160120::N-[6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-hex-4-enyl]-acetamide

SMILES: CC(=O)NCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1

InChI Key: InChIKey=HHXRNYJYHIHSEH-FNORWQNLSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083858   

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))	BDBM50083858 (CHEMBL160120 | N-[6-(1-Hydroxy-6,6,9-trimethyl-6a,...) Show SMILES CC(=O)NCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C24H33NO3/c1-16-10-11-20-19(13-16)23-21(27)14-18(15-22(23)28-24(20,3)4)9-7-5-6-8-12-25-17(2)26/h5,7,10,14-15,19-20,27H,6,8-9,11-13H2,1-4H3,(H,25,26)/b7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair