BDBM50271869 (3S,6R)-7-(1-Adamantan-1-yl-ethyl)-6-(4-methoxy-benzyl)-3-methyl-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium

SMILES: COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=LSRPJNTWHNCYBF-APQBDJRRSA-O

Data: 3 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 3 hits for monomerid = 50271869   

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 (Homo sapiens (Human))	BDBM50271869 ((3S,6R)-7-(1-Adamantan-1-yl-ethyl)-6-(4-methoxy-be...) Show SMILES COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,c:13,TLB:16:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H37N3O/c1-17-15-27-25-28(17)16-23(11-19-4-6-24(30-3)7-5-19)29(25)18(2)26-12-20-8-21(13-26)10-22(9-20)14-26/h4-7,17-18,20-23H,8-16H2,1-3H3/p+1/t17-,18?,20?,21?,22?,23+,26?/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	2.22E+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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50271869 ((3S,6R)-7-(1-Adamantan-1-yl-ethyl)-6-(4-methoxy-be...) Show SMILES COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,c:13,TLB:16:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H37N3O/c1-17-15-27-25-28(17)16-23(11-19-4-6-24(30-3)7-5-19)29(25)18(2)26-12-20-8-21(13-26)10-22(9-20)14-26/h4-7,17-18,20-23H,8-16H2,1-3H3/p+1/t17-,18?,20?,21?,22?,23+,26?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	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))	BDBM50271869 ((3S,6R)-7-(1-Adamantan-1-yl-ethyl)-6-(4-methoxy-be...) Show SMILES COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,c:13,TLB:16:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H37N3O/c1-17-15-27-25-28(17)16-23(11-19-4-6-24(30-3)7-5-19)29(25)18(2)26-12-20-8-21(13-26)10-22(9-20)14-26/h4-7,17-18,20-23H,8-16H2,1-3H3/p+1/t17-,18?,20?,21?,22?,23+,26?/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	238	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