BDBM50402141 CHEMBL2207681

SMILES: O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41

InChI Key: InChIKey=LOXFETCCXNYJIL-JSCXXUSDSA-N

Data: 3 KI

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 = 50402141   

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 (Mus musculus (Mouse))	BDBM50402141 (CHEMBL2207681) Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r| Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 22: 7697-701 (2012) Article DOI: 10.1016/j.bmcl.2012.09.102 BindingDB Entry DOI: 10.7270/Q2DN466K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50402141 (CHEMBL2207681) Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r| Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 22: 7697-701 (2012) Article DOI: 10.1016/j.bmcl.2012.09.102 BindingDB Entry DOI: 10.7270/Q2DN466K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50402141 (CHEMBL2207681) Show SMILES O[C@H]1CC2N(CC3CC3)CCC34CC(=O)C1CC23Cc1ccc(O)cc41 |r| Show InChI InChI=1S/C22H27NO3/c24-15-4-3-14-9-22-10-16-18(25)8-20(22)23(12-13-1-2-13)6-5-21(22,11-19(16)26)17(14)7-15/h3-4,7,13,16,18,20,24-25H,1-2,5-6,8-12H2/t16?,18-,20?,21?,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 22: 7697-701 (2012) Article DOI: 10.1016/j.bmcl.2012.09.102 BindingDB Entry DOI: 10.7270/Q2DN466K
					More data for this Ligand-Target Pair