BDBM50271818 (3R,6S)-7-(2-Bicyclo[2.2.1]hept-2-yl-ethyl)-3-cyclohexyl-6-(4-methoxy-benzyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium

SMILES: COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1

InChI Key: InChIKey=UAHVQADOWQFABV-ARFSXWLJSA-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 = 50271818   

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))	BDBM50271818 ((3R,6S)-7-(2-Bicyclo[2.2.1]hept-2-yl-ethyl)-3-cycl...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20| Show InChI InChI=1S/C28H41N3O/c1-32-26-11-8-20(9-12-26)17-25-19-31-27(22-5-3-2-4-6-22)18-29-28(31)30(25)14-13-24-16-21-7-10-23(24)15-21/h8-9,11-12,21-25,27H,2-7,10,13-19H2,1H3/p+1/t21?,23?,24?,25-,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	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))	BDBM50271818 ((3R,6S)-7-(2-Bicyclo[2.2.1]hept-2-yl-ethyl)-3-cycl...) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20| Show InChI InChI=1S/C28H41N3O/c1-32-26-11-8-20(9-12-26)17-25-19-31-27(22-5-3-2-4-6-22)18-29-28(31)30(25)14-13-24-16-21-7-10-23(24)15-21/h8-9,11-12,21-25,27H,2-7,10,13-19H2,1H3/p+1/t21?,23?,24?,25-,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	219	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