BDBM15308 US8846929, 266

SMILES: [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2

InChI Key: InChIKey=DUDXAOUGIMVJPT-JZPJOJOISA-N

Data: 8 KI

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 = 15308   

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))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	679	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM15308 (US8846929, 266) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28| Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair