BDBM50169780 (3S,4aR,6S,8R,8aR,10aR)-6-Cyclopropanecarbonyloxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL360553

SMILES: COC(=O)[C@@H]1C[C@H](OC(=O)C2CC2)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=NETYYQKJCQUMEJ-CTQXBKMASA-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 = 50169780   

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))	BDBM50169780 ((3S,4aR,6S,8R,8aR,10aR)-6-Cyclopropanecarbonyloxy-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C2CC2)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-24-8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,2)20(24)19(26)17(10-16(24)22(28)30-3)32-21(27)13-4-5-13/h7,9,12-13,15-18,20H,4-6,8,10-11H2,1-3H3/t15-,16-,17-,18-,20?,24-,25-/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 Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair