BDBM303071 US9598447, Ref No. TT

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(CCP(O)(O)=O)c1=O

InChI Key: InChIKey=PSYXPVKXUPRUNH-PJSQHTMTSA-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 = 303071   

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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	78	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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	129	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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.91E+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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	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	3.94	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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	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))	BDBM303071 (US9598447, Ref No. TT) 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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13| Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+	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