BDBM50083848 3-But-3-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL159748

SMILES: CC1=CCC2C(C1)c1c(O)cc(CCC#C)cc1OC2(C)C

InChI Key: InChIKey=NMYXMSUJNCQYIG-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 = 50083848   

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))	BDBM50083848 (3-But-3-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCC#C)cc1OC2(C)C |t:1| Show InChI InChI=1S/C20H24O2/c1-5-6-7-14-11-17(21)19-15-10-13(2)8-9-16(15)20(3,4)22-18(19)12-14/h1,8,11-12,15-16,21H,6-7,9-10H2,2-4H3	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	367	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