BDBM199403 US9221831, 68

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

InChI Key: InChIKey=WDNUXKLDDQZBAM-NWQXYSKTSA-N

Data: 3 KI  1 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 4 hits for monomerid = 199403   

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))	BDBM199403 (US9221831, 68) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(O)CO)OC |r,w:29.36,THB:26:25:15.16:22.21| Show InChI InChI=1S/C28H39NO6/c1-32-21-6-5-18-11-22-26-7-8-28(33-2,19(12-26)15-34-16-20(31)14-30)25-27(26,23(18)24(21)35-25)9-10-29(22)13-17-3-4-17/h5-6,17,19-20,22,25,30-31H,3-4,7-16H2,1-2H3/t19-,20?,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	1.57	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))	BDBM199403 (US9221831, 68) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(O)CO)OC |r,w:29.36,THB:26:25:15.16:22.21| Show InChI InChI=1S/C28H39NO6/c1-32-21-6-5-18-11-22-26-7-8-28(33-2,19(12-26)15-34-16-20(31)14-30)25-27(26,23(18)24(21)35-25)9-10-29(22)13-17-3-4-17/h5-6,17,19-20,22,25,30-31H,3-4,7-16H2,1-2H3/t19-,20?,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	341	-9.56	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))	BDBM199403 (US9221831, 68) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(O)CO)OC |r,w:29.36,THB:26:25:15.16:22.21| Show InChI InChI=1S/C28H39NO6/c1-32-21-6-5-18-11-22-26-7-8-28(33-2,19(12-26)15-34-16-20(31)14-30)25-27(26,23(18)24(21)35-25)9-10-29(22)13-17-3-4-17/h5-6,17,19-20,22,25,30-31H,3-4,7-16H2,1-2H3/t19-,20?,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	3.25E+3	-7.48	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199403 (US9221831, 68) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC(O)CO)OC |r,w:29.36,THB:26:25:15.16:22.21| Show InChI InChI=1S/C28H39NO6/c1-32-21-6-5-18-11-22-26-7-8-28(33-2,19(12-26)15-34-16-20(31)14-30)25-27(26,23(18)24(21)35-25)9-10-29(22)13-17-3-4-17/h5-6,17,19-20,22,25,30-31H,3-4,7-16H2,1-2H3/t19-,20?,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	517	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