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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 = 'BDBM50027051'   
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))
BDBM50027051
PNG
(CHEMBL2112472)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027051
PNG
(CHEMBL2112472)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
164n/an/an/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs


Eur J Med Chem 141: 632-647 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.012
BindingDB Entry DOI: 10.7270/Q2V98BQ2
More data for this
Ligand-Target Pair