BindingDB PrimarySearch

BDBM50000787 (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one::NALTREXONE

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key: InChIKey=DQCKKXVULJGBQN-XFWGSAIBSA-N

Data: 20 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50000787
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.0825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells				ACS Med Chem Lett 3: 640-644 (2012) Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Research Institute Curated by PDSP K_i Database									BMC Pharmacol 3: 1 (2003) Article DOI: 10.1186/1471-2210-3-1 BindingDB Entry DOI: 10.7270/Q2V123B6
Molecular Research Institute Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	8.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in cultured hippocampal neurons				Bioorg Med Chem Lett 14: 1879-87 (2004) Article DOI: 10.1016/j.bmcl.2004.01.004 BindingDB Entry DOI: 10.7270/Q2WW7H3V
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in CA1 stratum radiatum interneurons				Bioorg Med Chem Lett 14: 1879-87 (2004) Article DOI: 10.1016/j.bmcl.2004.01.004 BindingDB Entry DOI: 10.7270/Q2WW7H3V
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in CA1 stratum radiatum interneurons				Bioorg Med Chem Lett 14: 1879-87 (2004) Article DOI: 10.1016/j.bmcl.2004.01.004 BindingDB Entry DOI: 10.7270/Q2WW7H3V
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockage of Nicotinic acetylcholine receptor alpha7 noncompetitively in cultured hippocampal neurons				Bioorg Med Chem Lett 14: 1879-87 (2004) Article DOI: 10.1016/j.bmcl.2004.01.004 BindingDB Entry DOI: 10.7270/Q2WW7H3V
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in acute hippocampal slices				Bioorg Med Chem Lett 14: 1879-87 (2004) Article DOI: 10.1016/j.bmcl.2004.01.004 BindingDB Entry DOI: 10.7270/Q2WW7H3V
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair