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PubMed code 12383009

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50120404
PNG
(Acetic acid 2-(8-hydroxy-6,11-dimethyl-1,2,5,6-tet...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1C[C@@]1(COC(C)=O)c1ccccc1 |TLB:9:10:1:15.13.14,THB:16:15:1:10.4.3|
Show InChI InChI=1S/C27H33NO3/c1-18-25-13-20-9-10-23(30)14-24(20)26(18,3)11-12-28(25)16-22-15-27(22,17-31-19(2)29)21-7-5-4-6-8-21/h4-10,14,18,22,25,30H,11-13,15-17H2,1-3H3/t18-,22?,25?,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
228n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding towards Opioid receptor kappa 1 in guinea pig brain homogenates.


J Med Chem 45: 4838-46 (2002)


BindingDB Entry DOI: 10.7270/Q2765DPP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50120406
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1C[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 |TLB:9:10:1:15.13.14,THB:16:15:1:10.4.3|
Show InChI InChI=1S/C31H34N2O2/c1-21-28-17-22-13-14-26(34)18-27(22)30(21,2)15-16-33(28)20-24-19-31(24,23-9-5-3-6-10-23)29(35)32-25-11-7-4-8-12-25/h3-14,18,21,24,28,34H,15-17,19-20H2,1-2H3,(H,32,35)/t21-,24?,28?,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.36E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding towards Opioid receptor kappa 1 in guinea pig brain homogenates.


J Med Chem 45: 4838-46 (2002)


BindingDB Entry DOI: 10.7270/Q2765DPP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%