BDBM303073 US9598447, Ref No. WW

SMILES: C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1

InChI Key: InChIKey=DGUBECAMYJKRNF-JZYACXNMSA-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 = 303073   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				US Patent US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.9	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 US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	396	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 US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30E+3	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 US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	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	13.8	n/a	n/a	n/a	n/a
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 ...				US Patent US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	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	2.00E+4	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 US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM303073 (US9598447, Ref No. WW) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C34H42N3O6P/c1-22-14-23-16-24(15-22)18-28(17-23)36-26-10-7-11-27(36)20-29(19-26)37-31-13-6-5-12-30(31)35-32(33(37)38)44(40,41)43-21-42-34(39)25-8-3-2-4-9-25/h2-6,8-9,12-13,22-24,26-29H,7,10-11,14-21H2,1H3,(H,40,41)/t22-,23-,24+,26-,27+,28+,29+	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	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 US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair