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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prokineticin Receptor 2 (PKR2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Prokineticin Receptor 2 (PKR2)


(Homo sapiens (human))
BDBM26335
PNG
(3-[2-({5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphen...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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Article
PubMed
1.61E+3 -34.4n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 2 (PKR2)


(Homo sapiens (human))
BDBM26336
PNG
(6-[(2-aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N5O3/c1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18/h4-11H,3,12-15,23H2,1-2H3,(H,24,25,28)
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PubMed
2.34E+4 -27.5n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 2 (PKR2)


(Homo sapiens (human))
BDBM26337
PNG
(6-{[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]ami...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C3NCCN3)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C25H31N7O3/c1-3-18-4-6-19(7-5-18)17-32-24(33)30-23(29-15-14-28-22-26-12-13-27-22)31(25(32)34)16-20-8-10-21(35-2)11-9-20/h4-11H,3,12-17H2,1-2H3,(H2,26,27,28)(H,29,30,33)
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7.12E+4 -24.6n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


Citation and Details
More data for this
Ligand-Target Pair
Prokineticin Receptor 2 (PKR2)


(Homo sapiens (human))
BDBM121129
PNG
(A457 | US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- ...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
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n/an/a 102n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair