BDBM50327511 (3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-6,8-dicarboxylic acid 8-methyl ester::CHEMBL1257489

SMILES: COC(=O)[C@@H]1CC(C(O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=GTWQOPBPISKHHC-WOFCABOFSA-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 = 50327511   

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))	BDBM50327511 ((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...) Show SMILES COC(=O)[C@@H]1CC(C(O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(27)30-15(11-5-7-29-10-11)9-22(13,2)17(21)16(23)12(18(24)25)8-14(21)19(26)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H,24,25)/t12?,13-,14-,15-,17-,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	24.3	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 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 5749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.08.001 BindingDB Entry DOI: 10.7270/Q2S182QC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50327511 ((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...) Show SMILES COC(=O)[C@@H]1CC(C(O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(27)30-15(11-5-7-29-10-11)9-22(13,2)17(21)16(23)12(18(24)25)8-14(21)19(26)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H,24,25)/t12?,13-,14-,15-,17-,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	n/a	n/a	n/a	n/a	83.3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5749-52 (2010) Article DOI: 10.1016/j.bmcl.2010.08.001 BindingDB Entry DOI: 10.7270/Q2S182QC
					More data for this Ligand-Target Pair