BDBM199365 US9221831, 30

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC

InChI Key: InChIKey=QERDWLFJAPHTPD-DPODCYPTSA-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 = 199365   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.8	-11.7	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	387	-8.74	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.09E+3	-8.14	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/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	128	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/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	22.1	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))	BDBM199365 (US9221831, 30) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/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	8.13	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