BindingDB logo
myBDB logout

null

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1=CO[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=NNRDLAZFVJKJBU-KKPVMHFXSA-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 = 50159162   
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


(Rattus norvegicus (rat))		BDBM50159162
PNG
((3S,4aR,4bS,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1=CO[C@@H](C[C@]21C)c1ccoc1 |t:19|
Show InChI InChI=1S/C23H28O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11-12,16-18,20H,5,7,9-10H2,1-4H3/t16-,17-,18-,20-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells

J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair