BindingDB logo
myBDB logout

BDBM50194400 (2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(methoxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate::CHEMBL218140

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

InChI Key: InChIKey=AXIKMCZDCHTZFL-DNMBFCBBSA-N

Data: 1 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 1 hit for monomerid = 50194400   
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))		BDBM50194400
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(met...)
Show SMILES COC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-13(24)29-17-9-15(12-27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-11-14)10-23(16,3)20(22)19(17)25/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair