BindingDB logo
myBDB logout

Patent code US9290454

Compile Data Set for Download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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))
BDBM210759
PNG
(US9290454, 4.4)
Show SMILES C[C@@H](NC(=O)c1ccc2c(c1)cc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H26F2N2O4/c1-18(19-6-9-22(30)10-7-19)32-28(36)20-8-15-26-21(16-20)17-25(4-2-3-5-27(34)35)33(29(26)37)24-13-11-23(31)12-14-24/h6-18H,2-5H2,1H3,(H,32,36)(H,34,35)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.16 -51.3n/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM210750
PNG
(US9290454, 3.2)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2cc(F)ccc12
Show InChI InChI=1S/C31H28F2N2O4/c32-22-9-12-24(13-10-22)35-25(5-1-2-7-29(36)37)18-21-16-20(8-14-27(21)31(35)39)30(38)34-28-6-3-4-19-17-23(33)11-15-26(19)28/h8-18,28H,1-7H2,(H,34,38)(H,36,37)/t28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.50 -50.6n/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))
BDBM210764
PNG
(US9290454, 7.2)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)-c1noc(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C29H23F2N3O4/c30-21-8-5-18(6-9-21)15-26-32-28(33-38-26)19-7-14-25-20(16-19)17-24(3-1-2-4-27(35)36)34(29(25)37)23-12-10-22(31)11-13-23/h5-14,16-17H,1-4,15H2,(H,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.79 -50.2n/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))
BDBM210751
PNG
(US9290454, 3.3)
Show SMILES COc1ccc(cc1)-n1c(CCCCC(O)=O)cc2cc(ccc2c1=O)C(=O)N[C@H](C)c1ccc(F)cc1
Show InChI InChI=1S/C30H29FN2O5/c1-19(20-7-10-23(31)11-8-20)32-29(36)21-9-16-27-22(17-21)18-25(5-3-4-6-28(34)35)33(30(27)37)24-12-14-26(38-2)15-13-24/h7-19H,3-6H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.20 -50.0n/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))
BDBM210752
PNG
(US9290454, 3.4)
Show SMILES C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(cc3)C#N)c2=O)c1)c1ccc(F)cc1
Show InChI InChI=1S/C30H26FN3O4/c1-19(21-8-11-24(31)12-9-21)33-29(37)22-10-15-27-23(16-22)17-26(4-2-3-5-28(35)36)34(30(27)38)25-13-6-20(18-32)7-14-25/h6-17,19H,2-5H2,1H3,(H,33,37)(H,35,36)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.84 -49.8n/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))
BDBM210760
PNG
(US9290454, 5.1)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)-c1cc(Cc2ccc(F)cc2)on1
Show InChI InChI=1S/C30H24F2N2O4/c31-22-8-5-19(6-9-22)15-26-18-28(33-38-26)20-7-14-27-21(16-20)17-25(3-1-2-4-29(35)36)34(30(27)37)24-12-10-23(32)11-13-24/h5-14,16-18H,1-4,15H2,(H,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.2 -49.4n/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))
BDBM210767
PNG
(US9290454, 8.1)
Show SMILES Fc1ccc(cc1)-n1c(CCCCC(=O)NS(=O)(=O)C2CC2)cc2cc(ccc2c1=O)C(=O)N[C@@H]1CCCc2cc(F)ccc12
Show InChI InChI=1S/C34H33F2N3O5S/c35-24-9-12-26(13-10-24)39-27(5-1-2-7-32(40)38-45(43,44)28-14-15-28)20-23-18-22(8-16-30(23)34(39)42)33(41)37-31-6-3-4-21-19-25(36)11-17-29(21)31/h8-13,16-20,28,31H,1-7,14-15H2,(H,37,41)(H,38,40)/t31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.9 -49.3n/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))
BDBM210765
PNG
(US9290454, 7.3)
Show SMILES CC(c1nc(no1)-c1ccc2c(c1)cc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H25F2N3O4/c1-18(19-6-9-22(31)10-7-19)29-33-28(34-39-29)20-8-15-26-21(16-20)17-25(4-2-3-5-27(36)37)35(30(26)38)24-13-11-23(32)12-14-24/h6-18H,2-5H2,1H3,(H,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
12.7 -48.8n/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))
BDBM210753
PNG
(US9290454, 3.5)
Show SMILES COc1cccc(c1)-n1c(CCCCC(O)=O)cc2cc(ccc2c1=O)C(=O)N[C@H](C)c1ccc(F)cc1
Show InChI InChI=1S/C30H29FN2O5/c1-19(20-10-13-23(31)14-11-20)32-29(36)21-12-15-27-22(16-21)17-24(6-3-4-9-28(34)35)33(30(27)37)25-7-5-8-26(18-25)38-2/h5,7-8,10-19H,3-4,6,9H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13.1 -48.8n/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))
BDBM210757
PNG
(US9290454, 4.2)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(F)cc3)c2=O)c1)c1ccccc1
Show InChI InChI=1S/C32H32FN3O4/c1-22-21-34(26-7-3-2-4-8-26)17-18-35(22)31(39)23-11-16-29-24(19-23)20-28(9-5-6-10-30(37)38)36(32(29)40)27-14-12-25(33)13-15-27/h2-4,7-8,11-16,19-20,22H,5-6,9-10,17-18,21H2,1H3,(H,37,38)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13.6 -48.7n/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))
BDBM210768
PNG
(US9290454, 8.2)
Show SMILES C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(=O)NS(=O)(=O)C3CC3)n(-c3ccc(F)cc3)c2=O)c1)c1ccc(F)cc1
Show InChI InChI=1S/C32H31F2N3O5S/c1-20(21-6-9-24(33)10-7-21)35-31(39)22-8-17-29-23(18-22)19-27(37(32(29)40)26-13-11-25(34)12-14-26)4-2-3-5-30(38)36-43(41,42)28-15-16-28/h6-14,17-20,28H,2-5,15-16H2,1H3,(H,35,39)(H,36,38)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14.8 -48.4n/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))
BDBM210766
PNG
(US9290454, 7.4)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)-c1noc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H21F4N3O4/c30-21-10-12-22(13-11-21)36-23(3-1-2-4-25(37)38)16-19-15-18(7-14-24(19)28(36)39)26-34-27(40-35-26)17-5-8-20(9-6-17)29(31,32)33/h5-16H,1-4H2,(H,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14.8 -48.4n/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))
BDBM210769
PNG
(US9290454, 8.3)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(=O)NS(=O)(=O)C3CC3)n(-c3ccc(F)cc3)c2=O)c1)c1ccc(F)cc1
Show InChI InChI=1S/C35H36F2N4O5S/c1-23-22-39(28-11-7-26(36)8-12-28)18-19-40(23)34(43)24-6-17-32-25(20-24)21-30(41(35(32)44)29-13-9-27(37)10-14-29)4-2-3-5-33(42)38-47(45,46)31-15-16-31/h6-14,17,20-21,23,31H,2-5,15-16,18-19,22H2,1H3,(H,38,42)/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17.0 -48.1n/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))
BDBM210771
PNG
(US9290454, 8.5)
Show SMILES Fc1ccc(Cc2cc(no2)-c2ccc3c(cc(CCCCC(=O)NS(=O)(=O)C4CC4)n(-c4ccc(F)cc4)c3=O)c2)cc1
Show InChI InChI=1S/C33H29F2N3O5S/c34-24-8-5-21(6-9-24)17-28-20-31(36-43-28)22-7-16-30-23(18-22)19-27(38(33(30)40)26-12-10-25(35)11-13-26)3-1-2-4-32(39)37-44(41,42)29-14-15-29/h5-13,16,18-20,29H,1-4,14-15,17H2,(H,37,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17.2 -48.0n/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))
BDBM210772
PNG
(US9290454, 8.6)
Show SMILES Fc1ccc(Cc2nc(no2)-c2ccc3c(cc(CCCCC(=O)NS(=O)(=O)C4CC4)n(-c4ccc(F)cc4)c3=O)c2)cc1
Show InChI InChI=1S/C32H28F2N4O5S/c33-23-8-5-20(6-9-23)17-30-35-31(36-43-30)21-7-16-28-22(18-21)19-26(38(32(28)40)25-12-10-24(34)11-13-25)3-1-2-4-29(39)37-44(41,42)27-14-15-27/h5-13,16,18-19,27H,1-4,14-15,17H2,(H,37,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17.3 -48.0n/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))
BDBM210754
PNG
(US9290454, 3.6 | US9290454, 3.7)
Show SMILES COc1ccccc1-n1c(CCCCC(O)=O)cc2cc(ccc2c1=O)C(=O)N[C@H](C)c1ccc(F)cc1 |wD:29.32,(2.67,6.16,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,4.62,;-1.33,3.85,;-2.67,4.62,;-4,3.85,;-4,2.31,;-5.33,4.62,;,1.54,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;-2.67,-3.08,;-4,-2.31,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;-1.33,-6.93,;,-7.7,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-2.67,-7.7,)|
Show InChI InChI=1S/C30H29FN2O5/c1-19(20-11-14-23(31)15-12-20)32-29(36)21-13-16-25-22(17-21)18-24(7-3-6-10-28(34)35)33(30(25)37)26-8-4-5-9-27(26)38-2/h4-5,8-9,11-19H,3,6-7,10H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
18.7 -47.8n/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))
BDBM210758
PNG
(US9290454, 4.3)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)NC1CC(=O)Nc2ccccc12
Show InChI InChI=1S/C30H26FN3O5/c31-20-10-12-21(13-11-20)34-22(5-1-4-8-28(36)37)16-19-15-18(9-14-23(19)30(34)39)29(38)33-26-17-27(35)32-25-7-3-2-6-24(25)26/h2-3,6-7,9-16,26H,1,4-5,8,17H2,(H,32,35)(H,33,38)(H,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20.7 -47.5n/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))
BDBM210763
PNG
(US9290454, 7.1)
Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)-c1noc(n1)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H26FN3O4/c32-24-10-12-25(13-11-24)35-26(7-3-4-8-28(36)37)18-22-17-21(9-14-27(22)31(35)38)29-33-30(39-34-29)23-15-19-5-1-2-6-20(19)16-23/h1-2,5-6,9-14,17-18,23H,3-4,7-8,15-16H2,(H,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
21.5 -47.4n/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))
BDBM210756
PNG
(US9290454, 4.1)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(F)cc3)c2=O)c1)c1ccc(F)cc1
Show InChI InChI=1S/C32H31F2N3O4/c1-21-20-35(26-11-7-24(33)8-12-26)16-17-36(21)31(40)22-6-15-29-23(18-22)19-28(4-2-3-5-30(38)39)37(32(29)41)27-13-9-25(34)10-14-27/h6-15,18-19,21H,2-5,16-17,20H2,1H3,(H,38,39)/t21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
22.5 -47.3n/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))
BDBM210762
PNG
(US9290454, 6.2)
Show SMILES CC1(CC(=NO1)c1ccc2c(cc(CCCCC(O)=O)n(-c3ccc(F)cc3)c2=O)c1)c1nc2ccc(F)cc2o1 |c:3|
Show InChI InChI=1S/C31H25F2N3O5/c1-31(30-34-25-13-9-21(33)16-27(25)40-30)17-26(35-41-31)18-6-12-24-19(14-18)15-23(4-2-3-5-28(37)38)36(29(24)39)22-10-7-20(32)8-11-22/h6-16H,2-5,17H2,1H3,(H,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.4 -47.0n/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))
BDBM210770
PNG
(US9290454, 8.4)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc2c(cc(CCCCC(=O)NS(=O)(=O)C3CC3)n(-c3ccc(F)cc3)c2=O)c1)c1ccccc1
Show InChI InChI=1S/C35H37FN4O5S/c1-24-23-38(28-7-3-2-4-8-28)19-20-39(24)34(42)25-11-18-32-26(21-25)22-30(40(35(32)43)29-14-12-27(36)13-15-29)9-5-6-10-33(41)37-46(44,45)31-16-17-31/h2-4,7-8,11-15,18,21-22,24,31H,5-6,9-10,16-17,19-20,23H2,1H3,(H,37,41)/t24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37.2 -46.0n/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))
BDBM210746
PNG
(US9290454, 1.1)
Show SMILES C[C@@H](NC(=O)c1ccc2c(c1)cc(CCCCC(O)=O)n(Cc1ccccc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H29FN2O4/c1-20(22-11-14-25(31)15-12-22)32-29(36)23-13-16-27-24(17-23)18-26(9-5-6-10-28(34)35)33(30(27)37)19-21-7-3-2-4-8-21/h2-4,7-8,11-18,20H,5-6,9-10,19H2,1H3,(H,32,36)(H,34,35)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37.7 -45.9n/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))
BDBM210747
PNG
(US9290454, 1.2)
Show SMILES C[C@@H](NC(=O)c1ccc2c(c1)cc(CCCCC(O)=O)n(Cc1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H28F2N2O4/c1-19(21-8-13-25(32)14-9-21)33-29(37)22-10-15-27-23(16-22)17-26(4-2-3-5-28(35)36)34(30(27)38)18-20-6-11-24(31)12-7-20/h6-17,19H,2-5,18H2,1H3,(H,33,37)(H,35,36)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
49.0 -45.2n/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))
BDBM210761
PNG
(US9290454, 6.1)
Show SMILES CC1(CC(=NO1)c1ccc2c(c1)c(Cl)c(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccc(F)cc2o1 |c:3|
Show InChI InChI=1S/C31H24ClF2N3O5/c1-31(30-35-23-13-9-19(34)15-26(23)41-30)16-24(36-42-31)17-6-12-21-22(14-17)28(32)25(4-2-3-5-27(38)39)37(29(21)40)20-10-7-18(33)8-11-20/h6-15H,2-5,16H2,1H3,(H,38,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
79.1 -43.9n/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))
BDBM210754
PNG
(US9290454, 3.6 | US9290454, 3.7)
Show SMILES COc1ccccc1-n1c(CCCCC(O)=O)cc2cc(ccc2c1=O)C(=O)N[C@H](C)c1ccc(F)cc1 |wD:29.32,(2.67,6.16,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,4.62,;-1.33,3.85,;-2.67,4.62,;-4,3.85,;-4,2.31,;-5.33,4.62,;,1.54,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;-2.67,-3.08,;-4,-2.31,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;-1.33,-6.93,;,-7.7,;,-9.24,;-1.33,-10.01,;-1.33,-11.55,;-2.67,-9.24,;-2.67,-7.7,)|
Show InChI InChI=1S/C30H29FN2O5/c1-19(20-11-14-23(31)15-12-20)32-29(36)21-13-16-25-22(17-21)18-24(7-3-6-10-28(34)35)33(30(25)37)26-8-4-5-9-27(26)38-2/h4-5,8-9,11-19H,3,6-7,10H2,1-2H3,(H,32,36)(H,34,35)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
363 -39.8n/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))
BDBM210748
PNG
(US9290454, 2.1)
Show SMILES C[C@@H](NC(=O)c1ccc2c(c1)cc(CC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H20F2N2O4/c1-15(16-2-5-19(27)6-3-16)29-25(33)17-4-11-23-18(12-17)13-22(14-24(31)32)30(26(23)34)21-9-7-20(28)8-10-21/h2-13,15H,14H2,1H3,(H,29,33)(H,31,32)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.92E+3 -32.8n/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
* indicates data uncertainty>20%