BDBM50083871 3-Hex-2-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL351679

SMILES: CCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1

InChI Key: InChIKey=XMHGCYFBOBAPIQ-UHFFFAOYSA-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 = 50083871   

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))	BDBM50083871 (3-Hex-2-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:14| Show InChI InChI=1S/C22H28O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18,23H,5-6,9,11-12H2,1-4H3	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	11	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
					More data for this Ligand-Target Pair