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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 = 'BDBM50242677'   
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))
BDBM50242677
PNG
(CHEMBL4088609)
Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(O)c1)N2CCCCN1C(=O)c2ccccc2C1=O |r,TLB:9:7:16:3.2|
Show InChI InChI=1S/C25H28N2O3/c28-21-7-5-6-17(16-21)18-14-19-10-11-20(15-18)26(19)12-3-4-13-27-24(29)22-8-1-2-9-23(22)25(27)30/h1-2,5-9,16,18-20,28H,3-4,10-15H2/t19-,20-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242677
PNG
(CHEMBL4088609)
Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(O)c1)N2CCCCN1C(=O)c2ccccc2C1=O |r,TLB:9:7:16:3.2|
Show InChI InChI=1S/C25H28N2O3/c28-21-7-5-6-17(16-21)18-14-19-10-11-20(15-18)26(19)12-3-4-13-27-24(29)22-8-1-2-9-23(22)25(27)30/h1-2,5-9,16,18-20,28H,3-4,10-15H2/t19-,20-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair