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SMILES: CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O

InChI Key: InChIKey=NNSXGWNBPXSNGF-WOJBJXKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140737   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50140737 ((3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octa...) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C21H31N3O/c1-2-23-19-10-6-7-11-20(19)24(21(23)25)18-12-14-22(15-13-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50140737 ((3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octa...) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C21H31N3O/c1-2-23-19-10-6-7-11-20(19)24(21(23)25)18-12-14-22(15-13-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	716	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells				Bioorg Med Chem Lett 14: 1347-51 (2004) Article DOI: 10.1016/j.bmcl.2003.11.083 BindingDB Entry DOI: 10.7270/Q2QJ7HW5
					More data for this Ligand-Target Pair