BDBM50404326 CHEMBL2113273

SMILES: CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O

InChI Key: InChIKey=AEGKEQPSPQTHKK-HSJBNPAXSA-N

Data: 3 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 3 hits for monomerid = 50404326   

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))	BDBM50404326 (CHEMBL2113273) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	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))	BDBM50404326 (CHEMBL2113273) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/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	279	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50404326 (CHEMBL2113273) Show SMILES CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O Show InChI InChI=1S/C24H41N3O/c1-2-26-22-9-5-6-10-23(22)27(24(26)28)20-13-15-25(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h18-23H,2-17H2,1H3/t18?,19?,21?,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand				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