null

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

InChI Key: InChIKey=ITSKLKVKISMXJX-AZKXBNKQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50170670   

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))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,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	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,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	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor mu1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,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	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,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	8.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor delta1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170670 ((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair