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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 = 'BDBM50366350'   
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))
BDBM50366350
PNG
(CHEMBL555800)
Show SMILES CC(C)C(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O2/c1-18(2)23(20-12-8-5-9-13-20)24(28)25(3)22(19-10-6-4-7-11-19)17-26-15-14-21(27)16-26/h4-13,18,21-23,27H,14-17H2,1-3H3/t21-,22+,23?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366350
PNG
(CHEMBL555800)
Show SMILES CC(C)C(C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O2/c1-18(2)23(20-12-8-5-9-13-20)24(28)25(3)22(19-10-6-4-7-11-19)17-26-15-14-21(27)16-26/h4-13,18,21-23,27H,14-17H2,1-3H3/t21-,22+,23?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair