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BDBM50310292 CHEMBL604522::KNT-5

SMILES: CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23

InChI Key: InChIKey=AFQDTMLOPHOESA-MBPVOVBZSA-N

Data: 1 KI  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 2 hits for monomerid = 50310292   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50310292
PNG
(CHEMBL604522 | KNT-5)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50310292
PNG
(CHEMBL604522 | KNT-5)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair