BDBM50140741 (3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-octahydro-benzoimidazol-2-one::CHEMBL280778

SMILES: O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1

InChI Key: InChIKey=VSHAXDNWFQCNEL-WOJBJXKFSA-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 = 50140741   

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))	BDBM50140741 ((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...) Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/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	16	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))	BDBM50140741 ((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...) Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/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	1.07E+3	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))	BDBM50140741 ((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...) Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/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	1.70E+3	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50140741 ((3aR,7aR)-1-(1-Cyclooctylmethyl-piperidin-4-yl)-oc...) Show SMILES O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H37N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h17-20H,1-16H2,(H,22,25)/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	6.53E+3	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 delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole 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