BDBM50271870 (3S,6R)-6-Isobutyl-3-methyl-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium

SMILES: CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CC1CCC(C)CC1

InChI Key: InChIKey=APOUUTUFHCRHAM-ODZFXCKXSA-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 = 50271870   

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))	BDBM50271870 ((3S,6R)-6-Isobutyl-3-methyl-7-(4-methyl-cyclohexyl...) Show SMILES CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CC1CCC(C)CC1 |r,wU:4.3,wD:7.7,c:10,(14.63,-41.05,;13.09,-41.01,;12.35,-39.66,;12.29,-42.33,;10.74,-42.29,;9.86,-41.02,;8.39,-41.45,;6.92,-40.93,;6.49,-39.45,;5.98,-42.18,;6.85,-43.44,;8.34,-43.01,;9.8,-43.52,;10.24,-45,;9.18,-46.12,;7.69,-45.76,;6.63,-46.87,;7.07,-48.35,;6.01,-49.46,;8.57,-48.71,;9.63,-47.59,)| Show InChI InChI=1S/C18H33N3/c1-13(2)9-17-12-20-15(4)10-19-18(20)21(17)11-16-7-5-14(3)6-8-16/h13-17H,5-12H2,1-4H3/p+1/t14?,15-,16?,17+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.48E+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))	BDBM50271870 ((3S,6R)-6-Isobutyl-3-methyl-7-(4-methyl-cyclohexyl...) Show SMILES CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CC1CCC(C)CC1 |r,wU:4.3,wD:7.7,c:10,(14.63,-41.05,;13.09,-41.01,;12.35,-39.66,;12.29,-42.33,;10.74,-42.29,;9.86,-41.02,;8.39,-41.45,;6.92,-40.93,;6.49,-39.45,;5.98,-42.18,;6.85,-43.44,;8.34,-43.01,;9.8,-43.52,;10.24,-45,;9.18,-46.12,;7.69,-45.76,;6.63,-46.87,;7.07,-48.35,;6.01,-49.46,;8.57,-48.71,;9.63,-47.59,)| Show InChI InChI=1S/C18H33N3/c1-13(2)9-17-12-20-15(4)10-19-18(20)21(17)11-16-7-5-14(3)6-8-16/h13-17H,5-12H2,1-4H3/p+1/t14?,15-,16?,17+/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	6.48E+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