null

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccc2[n+]([O-])onc2c1

InChI Key: InChIKey=URGAVVVNIXRWJX-HXUWFJFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161316   

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))	BDBM50161316 (1-Oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid {[m...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccc2[n+]([O-])onc2c1 Show InChI InChI=1S/C22H25N5O4/c1-25(20(15-26-11-5-6-12-26)16-7-3-2-4-8-16)21(28)14-23-22(29)17-9-10-19-18(13-17)24-31-27(19)30/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H,23,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity for human kappa opioid receptor was determined by using [3H]-diprenorphine as radioligand				Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161316 (1-Oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid {[m...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccc2[n+]([O-])onc2c1 Show InChI InChI=1S/C22H25N5O4/c1-25(20(15-26-11-5-6-12-26)16-7-3-2-4-8-16)21(28)14-23-22(29)17-9-10-19-18(13-17)24-31-27(19)30/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H,23,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.37	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro effective concentration towards human kappa opioid receptor was determined using [35S]-GTP-gamma S as radioligand; Not determined				Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ
					More data for this Ligand-Target Pair