BDBM199337 US9221831, 1

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45

InChI Key: InChIKey=FAHOTOBTELSIEH-VTPACTEHSA-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 = 199337   

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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.16	-12.4	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32.2	-10.2	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	333	-9.57	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/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	22.3	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.10E+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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/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	18.2	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))	BDBM199337 (US9221831, 1) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C31H39NO5/c1-20-6-4-5-7-22(20)18-35-19-23-17-29-10-11-31(23,34-3)28-30(29)12-13-32(2)25(29)16-21-8-9-24(36-15-14-33)27(37-28)26(21)30/h4-9,23,25,28,33H,10-19H2,1-3H3/t23-,25-,28-,29-,30+,31-/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	3.94	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