BDBM50083856 6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-hex-5-ynenitrile::CHEMBL163441

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

InChI Key: InChIKey=GPXJGXGWNQNGGC-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50083856   

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))	BDBM50083856 (6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C#CCCCC#N |t:1| Show InChI InChI=1S/C22H25NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,4-5,7,10,12H2,1-3H3	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	104	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