BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1C#Cc1ccccc1OC)C(=O)OC

InChI Key: InChIKey=WUFGGXHZGJUBPN-ICSOTFKZSA-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 = 50034549   
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))		BDBM50034549
PNG
(CHEMBL3359800)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1C#Cc1ccccc1OC)C(=O)OC |r|
Show InChI InChI=1S/C32H34O9/c1-18(33)40-25-16-22(29(35)38-5)31(2)14-12-21-30(36)41-26(17-32(21,3)28(31)27(25)34)20-13-15-39-24(20)11-10-19-8-6-7-9-23(19)37-4/h6-9,13,15,21-22,25-26,28H,12,14,16-17H2,1-5H3/t21-,22-,25-,26-,28-,31-,32-/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/an/an/an/a 6.10E+3n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...

J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair