BDBM50189171 (2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-5,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate::CHEMBL426689

SMILES: CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=UOHZVTISHAIGDV-VKVIRWRRSA-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 = 50189171   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189171 ((2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(hydroxym...) Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C22H28O7/c1-12(24)29-17-6-14(9-23)21(2)7-16(25)15-11-28-18(13-4-5-27-10-13)8-22(15,3)20(21)19(17)26/h4-5,10,14-15,17-18,20,23H,6-9,11H2,1-3H3/t14-,15-,17-,18-,20-,21-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair