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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50430604'   
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))
BDBM50430604
PNG
(CHEMBL2338755)
Show SMILES CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:5:8:30.16:11.12|
Show InChI InChI=1S/C30H43NO4/c1-4-5-6-11-27(2,33)22-17-28-12-13-30(22,34-3)26-29(28)14-15-31(18-19-7-8-19)23(28)16-20-9-10-21(32)25(35-26)24(20)29/h9-10,19,22-23,26,32-33H,4-8,11-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50430604
PNG
(CHEMBL2338755)
Show SMILES CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:5:8:30.16:11.12|
Show InChI InChI=1S/C30H43NO4/c1-4-5-6-11-27(2,33)22-17-28-12-13-30(22,34-3)26-29(28)14-15-31(18-19-7-8-19)23(28)16-20-9-10-21(32)25(35-26)24(20)29/h9-10,19,22-23,26,32-33H,4-8,11-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 56: 3207-16 (2013)


Article DOI: 10.1021/jm301543e
BindingDB Entry DOI: 10.7270/Q28G8N2Q
More data for this
Ligand-Target Pair