BDBM50166720 (3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL194982

SMILES: COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=BLTMVAIOAAGYAR-ISWVLHOTSA-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 = 50166720   

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))	BDBM50166720 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-di...) Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12?,13-,14-,15-,17?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	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))	BDBM50166720 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-di...) Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12?,13-,14-,15-,17?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	371	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