null

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

InChI Key: InChIKey=FTLHKODYGDDSMC-QXIQULQJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 199377   

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))	BDBM199377 (US9221831, 42) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-28-14-21(30)31)24-26(25,22(17)23(19)34-24)9-10-29(20)15-16-3-4-16/h5-6,16,18,20,24,28H,3-4,7-15H2,1-2H3,(H,30,31)/t18-,20-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51.5	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))	BDBM199377 (US9221831, 42) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-28-14-21(30)31)24-26(25,22(17)23(19)34-24)9-10-29(20)15-16-3-4-16/h5-6,16,18,20,24,28H,3-4,7-15H2,1-2H3,(H,30,31)/t18-,20-,24-,25-,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	349	-9.54	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199377 (US9221831, 42) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-28-14-21(30)31)24-26(25,22(17)23(19)34-24)9-10-29(20)15-16-3-4-16/h5-6,16,18,20,24,28H,3-4,7-15H2,1-2H3,(H,30,31)/t18-,20-,24-,25-,26+,27-/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	964	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199377 (US9221831, 42) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C27H36N2O5/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-28-14-21(30)31)24-26(25,22(17)23(19)34-24)9-10-29(20)15-16-3-4-16/h5-6,16,18,20,24,28H,3-4,7-15H2,1-2H3,(H,30,31)/t18-,20-,24-,25-,26+,27-/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	218	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