BDBM199386 US9221831, 51

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1

InChI Key: InChIKey=JKXDZBOIGSVIIM-BGMHAWJCSA-N

Data: 2 KI  2 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 = 199386   

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))	BDBM199386 (US9221831, 51) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1 |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C37H41NO3/c1-39-30-15-14-27-20-31-35-16-17-36(28-10-6-3-7-11-28,29(21-35)24-40-23-26-8-4-2-5-9-26)34-37(35,32(27)33(30)41-34)18-19-38(31)22-25-12-13-25/h2-11,14-15,25,29,31,34H,12-13,16-24H2,1H3/t29-,31-,34+,35-,36-,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.07	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))	BDBM199386 (US9221831, 51) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1 |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C37H41NO3/c1-39-30-15-14-27-20-31-35-16-17-36(28-10-6-3-7-11-28,29(21-35)24-40-23-26-8-4-2-5-9-26)34-37(35,32(27)33(30)41-34)18-19-38(31)22-25-12-13-25/h2-11,14-15,25,29,31,34H,12-13,16-24H2,1H3/t29-,31-,34+,35-,36-,37+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.1	-11.6	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))	BDBM199386 (US9221831, 51) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1 |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C37H41NO3/c1-39-30-15-14-27-20-31-35-16-17-36(28-10-6-3-7-11-28,29(21-35)24-40-23-26-8-4-2-5-9-26)34-37(35,32(27)33(30)41-34)18-19-38(31)22-25-12-13-25/h2-11,14-15,25,29,31,34H,12-13,16-24H2,1H3/t29-,31-,34+,35-,36-,37+/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	14.6	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))	BDBM199386 (US9221831, 51) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)c1ccccc1 |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C37H41NO3/c1-39-30-15-14-27-20-31-35-16-17-36(28-10-6-3-7-11-28,29(21-35)24-40-23-26-8-4-2-5-9-26)34-37(35,32(27)33(30)41-34)18-19-38(31)22-25-12-13-25/h2-11,14-15,25,29,31,34H,12-13,16-24H2,1H3/t29-,31-,34+,35-,36-,37+/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	23.6	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