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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 = 'BDBM199419'   
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


(Homo sapiens (Human))
BDBM199419
PNG
(US9221831, 85)
Show SMILES CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14|
Show InChI InChI=1S/C30H42N2O5/c1-4-17(2)24(31)26(34)36-16-20-14-28-9-10-30(20,35-3)27-29(28)11-12-32(15-18-5-6-18)22(28)13-19-7-8-21(33)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,33H,4-6,9-16,31H2,1-3H3/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.0600n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM199419
PNG
(US9221831, 85)
Show SMILES CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14|
Show InChI InChI=1S/C30H42N2O5/c1-4-17(2)24(31)26(34)36-16-20-14-28-9-10-30(20,35-3)27-29(28)11-12-32(15-18-5-6-18)22(28)13-19-7-8-21(33)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,33H,4-6,9-16,31H2,1-3H3/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.960n/an/a7.425



Purdue Pharma, L.P.

US Patent


Assay Description
Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair