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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 210749   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM210749
PNG
(US9290454, 3.1)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 (unknown origin) assessed as inhibition of CD11b activation


Bioorg Med Chem Lett 27: 5344-5348 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.064
BindingDB Entry DOI: 10.7270/Q2HX1G7W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM210749
PNG
(US9290454, 3.1)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1
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US Patent
5.79 -51.0n/an/an/an/an/a7.450



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding was performed using filtration or scintillation proximity assay (SPA) technology. SPA assays were done at room temperature in 10 ...


US Patent US9290454 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JMQ
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM210749
PNG
(US9290454, 3.1)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced cAMP accumulati...


Bioorg Med Chem Lett 27: 5344-5348 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.064
BindingDB Entry DOI: 10.7270/Q2HX1G7W
More data for this
Ligand-Target Pair