BDBM50159161 (3S,4aS,4bR,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-5-oxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL370678

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1CO[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=OSTFRKZGMLPFHB-DNMBFCBBSA-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 = 50159161   

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 (Rattus norvegicus (rat))	BDBM50159161 ((3S,4aS,4bR,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1CO[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H30O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair