BDBM199339 US9221831, 3

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45

InChI Key: InChIKey=SXOUMZNAELVZJJ-YFMBSZHDSA-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 = 199339   

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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.4	-11.5	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	174	-9.21	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.07E+3	-8.40	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/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	189	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.55E+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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/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	18.7	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))	BDBM199339 (US9221831, 3) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:28.27:4.3| Show InChI InChI=1S/C30H35NO3/c1-4-21-10-11-22-16-24-28-12-13-30(32-3,23(17-28)19-33-18-20-8-6-5-7-9-20)27-29(28,14-15-31(24)2)25(22)26(21)34-27/h4-11,23-24,27H,1,12-19H2,2-3H3/t23-,24-,27-,28-,29+,30-/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	6.82	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