BDBM50171179 (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylic acid::(3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid::CHEMBL193690

SMILES: CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=JFOYNIOEQMKAOX-VOVNARLJSA-N

Data: 2 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 2 hits for monomerid = 50171179   

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))	BDBM50171179 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C22H26O8/c1-11(23)29-15-8-14(19(25)26)21(2)6-4-13-20(27)30-16(12-5-7-28-10-12)9-22(13,3)18(21)17(15)24/h5,7,10,13-16,18H,4,6,8-9H2,1-3H3,(H,25,26)/t13-,14-,15-,16-,18-,21-,22-/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 Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50171179 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C22H26O8/c1-11(23)29-15-8-14(19(25)26)21(2)6-4-13-20(27)30-16(12-5-7-28-10-12)9-22(13,3)18(21)17(15)24/h5,7,10,13-16,18H,4,6,8-9H2,1-3H3,(H,25,26)/t13-,14-,15-,16-,18-,21-,22-/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 Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 15: 4169-73 (2005) Article DOI: 10.1016/j.bmcl.2005.06.092 BindingDB Entry DOI: 10.7270/Q2BP02BX
					More data for this Ligand-Target Pair