BDBM220384 US9290488, ZA05

SMILES: CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O

InChI Key: InChIKey=DWHVTNXMIARYFX-IGSKVMNOSA-N

Data: 4 KI  3 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 7 hits for monomerid = 220384   

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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.97	-11.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-11.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid rece...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	57	-9.88	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-receptors (Perkin Elmer, Shelton, Conn.). Radioligand ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg membrane protein (recombinant delta opioid re...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	24.5	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.066 μg/μL ORL-1 membrane protein, 10 μg/mL saponin, 3 ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/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	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description [35S]GTPγS functional assays were conducted using freshly thawed membranes expressing human μ-receptors. Assay reactions were prepared by se...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220384 (US9290488, ZA05) Show SMILES CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/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	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 μg/μL kappa membrane protein (in-hous...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair