BDBM133953 US8846929, 336

SMILES: OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O

InChI Key: InChIKey=KOAWAGCCRWSOLU-ZHSPEFCGSA-N

Data: 4 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 4 hits for monomerid = 133953   

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))	BDBM133953 (US8846929, 336) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM133953 (US8846929, 336) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	365	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))	BDBM133953 (US8846929, 336) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.29E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM133953 (US8846929, 336) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17| Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.44E+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 0.2nM [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