BDBM50271994 (2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidin-7-ium::(2S,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidin-7-ium

SMILES: COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1

InChI Key: InChIKey=UAHVQADOWQFABV-UHFFFAOYSA-O

Data: 5 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 5 hits for monomerid = 50271994   

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))	BDBM50271994 ((2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-c...) Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26| 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	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	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))	BDBM50271994 ((2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-c...) Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	924	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50271994 ((2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-c...) Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26| 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	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	924	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))	BDBM50271994 ((2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-c...) Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	715	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 towards Opioid receptor kappa 1				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50271994 ((2R,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-c...) Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibition of Opioid receptor kappa 1 binding				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair