BDBM50271457 (2S,5R)-5-cyclohexyl-1-(3-cyclohexylpropyl)-2-[(4-methoxyphenyl)methyl]-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidin-7-ium

SMILES: COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1

InChI Key: InChIKey=UMIJHKIIVRNJCH-BDYUSTAISA-O

Data: 2 IC50

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 = 50271457   

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 (Cavia porcellus (domestic guinea pig))	BDBM50271457 ((2S,5R)-5-cyclohexyl-1-(3-cyclohexylpropyl)-2-[(4-...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12| Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate				Bioorg Med Chem 16: 5932-8 (2008) Article DOI: 10.1016/j.bmc.2008.04.061 BindingDB Entry DOI: 10.7270/Q2BG2PW7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50271457 ((2S,5R)-5-cyclohexyl-1-(3-cyclohexylpropyl)-2-[(4-...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12| Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair