BDBM50166727 (3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL383555

SMILES: CCCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1

InChI Key: InChIKey=WPAJQJODTKDYCN-AQWHLOSWSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50166727   

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))	BDBM50166727 ((3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dim...) Show SMILES CCCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O7/c1-5-6-10-31-18-12-17(22(27)29-4)24(2)9-7-16-23(28)32-19(15-8-11-30-14-15)13-25(16,3)21(24)20(18)26/h8,11,14,16-19,21H,5-7,9-10,12-13H2,1-4H3/t16?,17-,18-,19-,21?,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	35.8	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 Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166727 ((3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dim...) Show SMILES CCCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O7/c1-5-6-10-31-18-12-17(22(27)29-4)24(2)9-7-16-23(28)32-19(15-8-11-30-14-15)13-25(16,3)21(24)20(18)26/h8,11,14,16-19,21H,5-7,9-10,12-13H2,1-4H3/t16?,17-,18-,19-,21?,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	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair