BDBM50194408 ((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-7-yl)methyl 4-methylbenzoate::CHEMBL220712

SMILES: CC(=O)O[C@H]1C[C@@H](COC(=O)c2ccc(C)cc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=BKDQLXDEOLDHHY-KLKKBBNASA-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 = 50194408   

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))	BDBM50194408 (((2S,4aR,6aS,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3...) Show SMILES CC(=O)O[C@H]1C[C@@H](COC(=O)c2ccc(C)cc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C30H34O8/c1-17-5-7-19(8-6-17)27(33)36-16-21-13-23(37-18(2)31)25(32)26-29(21,3)11-9-22-28(34)38-24(14-30(22,26)4)20-10-12-35-15-20/h5-8,10,12,15,21-24,26H,9,11,13-14,16H2,1-4H3/t21-,22-,23-,24-,26-,29-,30-/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+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC
					More data for this Ligand-Target Pair