BDBM50083855 7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-hepta-5,6-dienoic acid::CHEMBL161016

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

InChI Key: InChIKey=CCDFPCRJFJIHKU-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 = 50083855   

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))	BDBM50083855 (7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C=C=CCCCC(O)=O)cc1OC2(C)C |t:1,(8.46,-12.17,;8.42,-13.71,;7.05,-14.48,;7.05,-16.02,;8.39,-16.79,;9.74,-16.02,;9.74,-14.48,;11.06,-16.79,;12.4,-16.02,;12.36,-14.49,;13.74,-16.79,;13.74,-18.33,;15.06,-19.09,;16.4,-18.32,;17.72,-19.07,;19.06,-18.3,;20.38,-19.07,;21.72,-18.3,;23.03,-19.07,;24.35,-18.29,;23.03,-20.61,;12.4,-19.1,;11.06,-18.33,;9.74,-19.1,;8.39,-18.35,;7.88,-19.8,;6.95,-17.84,)| Show InChI InChI=1S/C23H28O4/c1-15-10-11-18-17(12-15)22-19(24)13-16(14-20(22)27-23(18,2)3)8-6-4-5-7-9-21(25)26/h4,8,10,13-14,17-18,24H,5,7,9,11-12H2,1-3H3,(H,25,26)	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	3.17E+3	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