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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 = 'BDBM50123274'   
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))
BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.700n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor was measured using [3H]U-69593


Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123274
PNG
(6-amino(imino)methylamino-19-cyclopropylmethyl-11-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
Show InChI InChI=1S/C24H27N5O3/c25-22(26)28-15-7-14-9-24(31)17-8-13-3-4-16(30)20-18(13)23(24,21(32-20)19(14)27-10-15)5-6-29(17)11-12-1-2-12/h3-4,7,10,12,17,21,30-31H,1-2,5-6,8-9,11H2,(H4,25,26,28)/t17-,21+,23+,24-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...


Bioorg Med Chem Lett 13: 529-32 (2003)


BindingDB Entry DOI: 10.7270/Q27S7P9P
More data for this
Ligand-Target Pair