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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 = 'BDBM50001194'   
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))
BDBM50001194
PNG
(CHEMBL2112578)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(nc(Cc4ccccc4)nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C35H33N3O3/c39-26-14-13-24-18-27-35(40)19-25-30(23-9-5-2-6-10-23)36-28(17-21-7-3-1-4-8-21)37-31(25)33-34(35,29(24)32(26)41-33)15-16-38(27)20-22-11-12-22/h1-10,13-14,22,27,33,39-40H,11-12,15-20H2/t27-,33+,34+,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001194
PNG
(CHEMBL2112578)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(nc(Cc4ccccc4)nc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C35H33N3O3/c39-26-14-13-24-18-27-35(40)19-25-30(23-9-5-2-6-10-23)36-28(17-21-7-3-1-4-8-21)37-31(25)33-34(35,29(24)32(26)41-33)15-16-38(27)20-22-11-12-22/h1-10,13-14,22,27,33,39-40H,11-12,15-20H2/t27-,33+,34+,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.27E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U-69593 (1.2-2.2 nM) to guinea pig brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair