BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CC[C@@](C)([C@@H](CC(O)=O)C(=O)OC)[C@H](C(=O)OC)[C@@]1(C)C[C@H](OC2=O)c1ccoc1

InChI Key: InChIKey=PWOAPAYAZIUOOU-PFECHYNCSA-N

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 = 50265929   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50265929
PNG
(CHEMBL4105286)
Show SMILES [H][C@@]12CC[C@@](C)([C@@H](CC(O)=O)C(=O)OC)[C@H](C(=O)OC)[C@@]1(C)C[C@H](OC2=O)c1ccoc1 |r|
Show InChI InChI=1S/C22H28O9/c1-21(14(9-16(23)24)18(25)28-3)7-5-13-19(26)31-15(12-6-8-30-11-12)10-22(13,2)17(21)20(27)29-4/h6,8,11,13-15,17H,5,7,9-10H2,1-4H3,(H,23,24)/t13-,14-,15-,17-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 30 mins in prese...

J Med Chem 60: 3866-3878 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00148
BindingDB Entry DOI: 10.7270/Q2K93B08
More data for this
Ligand-Target Pair