BindingDB PrimarySearch

BDBM50170672 (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(propionyloxy)-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::(3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-6-propionyloxy-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester::CHEMBL370272

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

InChI Key: InChIKey=UPFVFWZGNRKYFG-ZWLNRFIDSA-N

Data: 7 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50170672
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))	BDBM50170672 ((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	1.80	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))	BDBM50170672 ((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	1.80	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
McLean Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	>1.00E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	>1.00E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	6.69E+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 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	6.69E+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
The University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	140	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((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	20	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
McLean Hospital Curated by ChEMBL					More data for this Ligand-Target Pair