BindingDB logo
myBDB logout

BDBM50369464 CHEMBL124207

SMILES: COc1ccc(C[C@H]2CN3[C@@H](CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1

InChI Key: InChIKey=CZTBHIMDQIEDMY-GISDCXPKSA-N

Data: 1 IC50

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 = 50369464   
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))
BDBM50369464
PNG
(CHEMBL124207)
Show SMILES COc1ccc(C[C@H]2CN3[C@@H](CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1
Show InChI InChI=1S/C31H45N3O/c1-21(31-16-23-12-24(17-31)14-25(13-23)18-31)34-27(15-22-8-10-28(35-2)11-9-22)20-33-29(19-32-30(33)34)26-6-4-3-5-7-26/h8-11,21,23-27,29H,3-7,12-20H2,1-2H3/t21?,23?,24?,25?,27-,29-,31?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibitory activity for kappa opioid receptor


J Med Chem 42: 3743-78 (1999)


Article DOI: 10.1021/jm990174v
BindingDB Entry DOI: 10.7270/Q22Z167W
More data for this
Ligand-Target Pair