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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 = 'BDBM50242673'   
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))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16|
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/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))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCc1ccccc1 |r,@@:7,TLB:9:7:3.2:16|
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/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