BDBM50067732 7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-7-methyl-2-phenyl-octanenitrile::CHEMBL337536

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(C#N)c1ccccc1

InChI Key: InChIKey=IIQQQYZNKDCKQP-NYJWAPBASA-N

Data: 1 KI

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 = 50067732   

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))	BDBM50067732 (7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(C#N)c1ccccc1 |t:1| Show InChI InChI=1S/C31H39NO2/c1-21-14-15-26-25(17-21)29-27(33)18-24(19-28(29)34-31(26,4)5)30(2,3)16-10-9-13-23(20-32)22-11-7-6-8-12-22/h6-8,11-12,14,18-19,23,25-26,33H,9-10,13,15-17H2,1-5H3/t23?,25-,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1)				J Med Chem 41: 4400-7 (1998) Article DOI: 10.1021/jm9803875 BindingDB Entry DOI: 10.7270/Q2M909CZ
					More data for this Ligand-Target Pair