BDBM50140745 (3aR,7aR)-1-Ethyl-3-[1-(4-propyl-cyclohexyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one::CHEMBL282376

SMILES: CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O

InChI Key: InChIKey=STTXXGCFIIYRPE-SLMMIHQXSA-N

Data: 2 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 2 hits for monomerid = 50140745   

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))	BDBM50140745 ((3aR,7aR)-1-Ethyl-3-[1-(4-propyl-cyclohexyl)-piper...) Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O |wU:21.24,wD:16.17,(.75,-13.1,;.33,-11.62,;1.41,-10.51,;1,-9.03,;-.5,-8.65,;-.92,-7.16,;.16,-6.04,;1.66,-6.42,;2.08,-7.93,;-.26,-4.55,;-1.75,-4.16,;-2.16,-2.69,;-1.07,-1.59,;.4,-1.99,;.82,-3.47,;-1.48,-.12,;-2.94,.37,;-4.27,-.4,;-5.61,.37,;-5.61,1.9,;-4.27,2.67,;-2.94,1.9,;-1.48,2.37,;-1,3.84,;.5,4.15,;-.57,1.12,;.96,1.11,)| Show InChI InChI=1S/C23H41N3O/c1-3-7-18-10-12-19(13-11-18)24-16-14-20(15-17-24)26-22-9-6-5-8-21(22)25(4-2)23(26)27/h18-22H,3-17H2,1-2H3/t18?,19?,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+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 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))	BDBM50140745 ((3aR,7aR)-1-Ethyl-3-[1-(4-propyl-cyclohexyl)-piper...) Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O |wU:21.24,wD:16.17,(.75,-13.1,;.33,-11.62,;1.41,-10.51,;1,-9.03,;-.5,-8.65,;-.92,-7.16,;.16,-6.04,;1.66,-6.42,;2.08,-7.93,;-.26,-4.55,;-1.75,-4.16,;-2.16,-2.69,;-1.07,-1.59,;.4,-1.99,;.82,-3.47,;-1.48,-.12,;-2.94,.37,;-4.27,-.4,;-5.61,.37,;-5.61,1.9,;-4.27,2.67,;-2.94,1.9,;-1.48,2.37,;-1,3.84,;.5,4.15,;-.57,1.12,;.96,1.11,)| Show InChI InChI=1S/C23H41N3O/c1-3-7-18-10-12-19(13-11-18)24-16-14-20(15-17-24)26-22-9-6-5-8-21(22)25(4-2)23(26)27/h18-22H,3-17H2,1-2H3/t18?,19?,21-,22-/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	2.17E+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