BDBM220359 US9290488, B2a(ii)

SMILES: OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O

InChI Key: InChIKey=FQAQAGMTMTXLRQ-OGXPWPJRSA-N

Data: 4 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 220359   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.1	-10.3	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 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	289	-8.91	n/a	n/a	n/a	n/a	n/a	7.4	25
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 rece...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	-8.59	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 μ-receptors (Perkin Elmer, Shelton, Conn.). Radioligand ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	7.4	25
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 re...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	61.3	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.066 μg/μL ORL-1 membrane protein, 10 μg/mL saponin, 3 ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/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	247	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description [35S]GTPγS functional assays were conducted using freshly thawed membranes expressing human μ-receptors. Assay reactions were prepared by se...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220359 (US9290488, B2a(ii)) Show SMILES OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20| Show InChI InChI=1S/C29H38N4O3/c34-28-27(31-12-11-26(31)29(35)36)30-24-9-1-2-10-25(24)33(28)23-16-20-7-4-8-21(17-23)32(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23,26H,3-8,11-17H2,(H,35,36)/t18-,19+,20-,21+,22+,23+,26-/m0/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	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 μg/μL kappa membrane protein (in-hous...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair