SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.6
BDBM172445

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	89.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description μ-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-rec...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	89.6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid re...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	520	-35.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays were conducted using freshly thawed membranes expressing human mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand do...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM172445 (US9090618, ZA68 \| US9598411, Ref. No. ZA68) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg membrane protein (recombinant delta opioid ...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
Purdue Pharma L.P. US Patent					More data for this Ligand-Target Pair