BDBM50169772 (3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methoxymethoxy-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL180126

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

InChI Key: InChIKey=KFVUSZPWUZBAPF-LKTZHPIXSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50169772   

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))	BDBM50169772 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methoxymeth...) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50169772 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methoxymeth...) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50169772 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methoxymeth...) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activation of human k-opioid receptor as increased [35S]GTPcS binding				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50169772 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methoxymeth...) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	92	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Activation of human k-opioid receptor as increased [35S]GTPcS binding				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair