BindingDB PrimarySearch

BDBM50170676 (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)-6a,10b-dimethyl-9-(methylsulfonyloxy)-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::(3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-methanesulfonyloxy-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL365216

SMILES: COC(=O)[C@@H]1C[C@H](OS(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=JPQCLBRBPPZECE-VOVNARLJSA-N

Data: 6 KI 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50170676
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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 Displacement of [125]OXY from kappa opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.82E+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 mu1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.82E+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 Displacement of [125]OXY from mu opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
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
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125]OXY from delta opioid receptor				J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170676 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor kappa1 expressed in CHO cells				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair