BindingDB PrimarySearch

BDBM50090694 CHEMBL3581740::US9259422, 22, R = Ph-BU128::US9480684, 22, R = Ph- BU128

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O

InChI Key: InChIKey=AEIAQTQSFDKUPO-SRMCDNDASA-N

Data: 12 KI 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50090694
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))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0800	-13.8	n/a	n/a	n/a	n/a	n/a	7.4	25
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...				US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0
The University of Bath US Patent					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0800	-13.8	n/a	n/a	n/a	n/a	n/a	7.4	25
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...				US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0
The University of Bath US Patent					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...				US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT
The University of Bath US Patent					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...				US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT
The University of Bath US Patent					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.480	-12.7	n/a	n/a	n/a	n/a	n/a	7.4	25
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...				US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0
The University of Bath US Patent					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.480	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...				US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT
The University of Bath US Patent					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	97	-9.56	n/a	n/a	n/a	n/a	n/a	7.4	25
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...				US Patent US9259422 (2016) BindingDB Entry DOI: 10.7270/Q2DJ5DG0
The University of Bath US Patent					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in HEK293 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	97	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The University of Bath US Patent					Assay Description As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...				US Patent US9480684 (2016) BindingDB Entry DOI: 10.7270/Q29885ZT
The University of Bath US Patent					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 \| US9259422, 22, R = Ph-BU128 \| US94...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	416	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human NOP receptor expressed in HEK293 cell membranes assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair