BDBM199353 US9221831, 18

SMILES: COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC

InChI Key: InChIKey=FDYCYWQDIVTVDR-RHRQCQTHSA-N

Data: 4 KI  4 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 8 hits for monomerid = 199353   

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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.7	-11.4	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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	342	-8.82	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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	884	-8.94	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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/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	176	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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.89E+3	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. ORL-1 membrane solution was prepared by sequentially adding final concentrations ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/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	139	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))	BDBM199353 (US9221831, 18) Show SMILES COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:22:21:11.12:18.17| Show InChI InChI=1S/C28H33NO4/c1-30-21-9-8-19-14-22-26-10-11-28(31-2,20(15-26)17-32-16-18-6-4-3-5-7-18)25-27(26,12-13-29-22)23(19)24(21)33-25/h3-9,20,22,25,29H,10-17H2,1-2H3/t20-,22-,25-,26-,27+,28-/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	22.5	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