BDBM50271307 (3S,6R)-7-(2-Adamantan-1-yl-ethyl)-3-cyclohexyl-6-isobutyl-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium

SMILES: CC(C)C[C@@H]1CN2[C@H](C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2)C1CCCCC1

InChI Key: InChIKey=QNKXLYUZSLTESN-VEGPSYRRSA-O

Data: 1 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 1 hit for monomerid = 50271307   

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))	BDBM50271307 ((3S,6R)-7-(2-Adamantan-1-yl-ethyl)-3-cyclohexyl-6-...) Show SMILES CC(C)C[C@@H]1CN2[C@H](C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 |r,c:9,TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C27H45N3/c1-19(2)10-24-18-30-25(23-6-4-3-5-7-23)17-28-26(30)29(24)9-8-27-14-20-11-21(15-27)13-22(12-20)16-27/h19-25H,3-18H2,1-2H3/p+1/t20?,21?,22?,24-,25-,27?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+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