BDBM50169775 (3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL178129

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

InChI Key: InChIKey=BLTMVAIOAAGYAR-UHFFFAOYSA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50169775   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Human)	BDBM50169775 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-hydroxy-4a,...) Show SMILES Show InChI	GoogleScholar	UniChem		43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair