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Compile Data Set for Download or QSAR

Found 29 hits of ec50 data for polymerid = 50004466,5608   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163942
PNG
((Z)-7-[(1R,4S,5R)-5-Hydroxy-2-((R)-3-hydroxy-3-met...)
Show SMILES CCCCC[C@@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration DP2 mediated expression of the adhesion molecule CD11b in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163942
PNG
((Z)-7-[(1R,4S,5R)-5-Hydroxy-2-((R)-3-hydroxy-3-met...)
Show SMILES CCCCC[C@@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated chemotaxis in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163942
PNG
((Z)-7-[(1R,4S,5R)-5-Hydroxy-2-((R)-3-hydroxy-3-met...)
Show SMILES CCCCC[C@@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21-/m1/s1
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n/an/an/an/a 3.80n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated stimulation of actin polymerization in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163943
PNG
((Z)-7-[(1R,2R,5S)-5-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration DP2 mediated expression of the adhesion molecule CD11b in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163943
PNG
((Z)-7-[(1R,2R,5S)-5-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated chemotaxis in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312283
PNG
((+/-)-cis-N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydro...)
Show SMILES C[C@H]1C[C@@H](N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-18-17-24(27(19(2)28)21-13-7-4-8-14-21)22-15-9-10-16-23(22)26(18)25(29)20-11-5-3-6-12-20/h3-16,18,24H,17H2,1-2H3/t18-,24+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CEM cell assessed as inhibition of PGD2-induced cell migration after 3 hrs by transwell migr...


Bioorg Med Chem Lett 19: 6840-4 (2009)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50163943
PNG
((Z)-7-[(1R,2R,5S)-5-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated stimulation of actin polymerization in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21599
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O5/c1-14-17(22(33-26-14)15-5-3-2-4-6-15)11-27-13-24(10-20(27)29)18-9-16(25)7-8-19(18)28(23(24)32)12-21(30)31/h2-9H,10-13H2,1H3,(H,30,31)
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3.80 -47.6n/an/a 19n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21594
PNG
(2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1onc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(26-34-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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PubMed
7.60 -45.9n/an/a 21n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21595
PNG
(2-{5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl...)
Show SMILES Cc1noc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
Show InChI InChI=1S/C24H18ClN3O6/c1-13-16(21(34-26-13)14-5-3-2-4-6-14)11-28-19(29)10-24(23(28)33)17-9-15(25)7-8-18(17)27(22(24)32)12-20(30)31/h2-9H,10-12H2,1H3,(H,30,31)
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PubMed
5.30 -46.8n/an/a 23n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296977
PNG
(2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...)
Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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n/an/an/an/a 24n/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change


J Med Chem 55: 2915-31 (2012)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21579
PNG
(2-{5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)
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PubMed
10 -45.2n/an/a 48n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21585
PNG
(2-(5-chloro-1'-{[2-(3-chlorophenyl)-1,3-thiazol-4-...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-2-12(6-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)4-5-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)
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24 -43.1n/an/a 48n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21610
PNG
(2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)meth...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
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5.30 -46.8n/an/a 66n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21580
PNG
(2-{5-chloro-1'-[(3,5-dichlorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13Cl3N2O5/c21-11-1-2-15-14(6-11)20(18(29)24(15)9-17(27)28)7-16(26)25(19(20)30)8-10-3-12(22)5-13(23)4-10/h1-6H,7-9H2,(H,27,28)
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36 -42.1n/an/a 82n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50410150
PNG
(CHEMBL2096774)
Show SMILES CCCCC[C@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21+/m1/s1
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n/an/an/an/a 99n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration DP2 mediated expression of the adhesion molecule CD11b in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21605
PNG
(2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-d...)
Show SMILES OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1
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23 -43.2n/an/a 107n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21568
PNG
(2-{5-chloro-1'-[(3-chlorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)
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68 -40.5n/an/a 122n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50410150
PNG
(CHEMBL2096774)
Show SMILES CCCCC[C@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21+/m1/s1
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n/an/an/an/a 128n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated chemotaxis in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21567
PNG
(2-{5-chloro-1'-[(4-fluorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-3-6-15-14(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-1-4-13(22)5-2-11/h1-7H,8-10H2,(H,26,27)
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PubMed
96 -39.7n/an/a 182n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21566
PNG
(2-{5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)
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37 -42.0n/an/a 212n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21593
PNG
(2-{5-chloro-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)meth...)
Show SMILES Cc1noc(C)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
Show InChI InChI=1S/C19H16ClN3O6/c1-9-12(10(2)29-21-9)7-23-15(24)6-19(18(23)28)13-5-11(20)3-4-14(13)22(17(19)27)8-16(25)26/h3-5H,6-8H2,1-2H3,(H,25,26)
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51 -41.2n/an/a 220n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21584
PNG
(2-{5-chloro-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]...)
Show SMILES Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1
Show InChI InChI=1S/C18H14ClN3O5S/c1-9-20-11(8-28-9)6-22-14(23)5-18(17(22)27)12-4-10(19)2-3-13(12)21(16(18)26)7-15(24)25/h2-4,8H,5-7H2,1H3,(H,24,25)
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38 -41.9n/an/a 236n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21574
PNG
(2-{5-chloro-1'-[(2,3-difluorophenyl)methyl]-1,2-di...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H13ClF2N2O5/c21-11-4-5-14-12(6-11)20(18(29)24(14)9-16(27)28)7-15(26)25(19(20)30)8-10-2-1-3-13(22)17(10)23/h1-6H,7-9H2,(H,27,28)
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25 -43.0n/an/a 296n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50410150
PNG
(CHEMBL2096774)
Show SMILES CCCCC[C@](C)(O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
Show InChI InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21+/m1/s1
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n/an/an/an/a 333n/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Effective concentration for DP2 mediated stimulation of actin polymerization in eosinophils


Bioorg Med Chem Lett 15: 1873-6 (2005)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/an/an/a 389n/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Partial antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change by FACS analysis


J Med Chem 55: 2915-31 (2012)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21543
PNG
(2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'...)
Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H15ClN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)
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196 -37.9n/an/a 418n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21559
PNG
(4-{5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18ClFN2O5/c23-14-7-8-17-15(10-14)22(20(30)25(17)9-3-6-19(28)29)11-18(27)26(21(22)31)12-13-4-1-2-5-16(13)24/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,28,29)
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1.76E+3 -32.5n/an/a 2.20E+3n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21561
PNG
(4-{5-chloro-1'-[(4-chlorophenyl)methyl]-1,2-dihydr...)
Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18Cl2N2O5/c23-14-5-3-13(4-6-14)12-26-18(27)11-22(21(26)31)16-10-15(24)7-8-17(16)25(20(22)30)9-1-2-19(28)29/h3-8,10H,1-2,9,11-12H2,(H,28,29)
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PubMed
758 -34.6n/an/a 5.60E+3n/an/a7.422



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)

More data for this
Ligand-Target Pair