Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 633.8 BDBM199370

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

Found 7 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	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.55	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 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.72	-50.6	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.4	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80E+3	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug mem...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	57.2	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. Delta opioid receptor membrane solution was prepared by sequentially adding fin...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	53.1	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description [35S]GTPgammaS functional assays were conducted using freshly thawed u-receptor membranes (Perkin Elmer, Shelton, Conn.). Assay reactions were prepa...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199370 (US9221831, 35) Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30| Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11.4	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair