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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 = 'BDBM50242684'   
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))
BDBM50242684
PNG
(CHEMBL4067358)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18|
Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/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))
BDBM50242684
PNG
(CHEMBL4067358)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2Cc1ccc(cc1)C(C)(C)C |r,@:7,TLB:9:7:3.2:18|
Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/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