BDBM50223620 1-alpha-mesyloxysalvinorin A::CHEMBL439569

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=CCBGZCQYEMWOAI-JXSPNISDSA-N

Data: 1 EC50

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 = 50223620   

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))	BDBM50223620 (1-alpha-mesyloxysalvinorin A | CHEMBL439569) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H32O10S/c1-13(25)32-17-10-16(21(26)30-4)23(2)8-6-15-22(27)33-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)34-35(5,28)29/h7,9,12,15-20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,19-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Holden Laboratories Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 6111-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.050 BindingDB Entry DOI: 10.7270/Q23T9GZK
					More data for this Ligand-Target Pair