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Compile Data Set for Download or QSAR

Found 1703 hits with Last Name = 'williams' and Initial = 'g'   
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
PTGER3


(BOVINE)
BDBM50101828
PNG
(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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3n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM50101828
PNG
(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
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4n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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4n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233524
PNG
(CHEMBL3981414)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233520
PNG
(FEVIPIPRANT | Fevipiprant | NVP-QAW039 | QAW039)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233523
PNG
(CHEMBL3931906)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1
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6n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM82094
PNG
(17-PHENYL TRINOR PROSTAGLANDIN E2 | CAS_38315-43-4...)
Show SMILES O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
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7n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233522
PNG
(CHEMBL3932668)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F
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7n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85174
PNG
(CAS_5311224 | GR 63799X | NSC_5311224)
Show SMILES OC(COC1C(O)CC(=O)C1CCC=CCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |w:13.13|
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1-8,11-14,17-20,26,29,31,33,36,38H,9-10,15-16,21-23H2,(H,35,40)
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8n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs


Bioorg Med Chem 21: 6582-91 (2013)


Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85183
PNG
(CAS_60325-46-4 | NSC_43251 | SULPROSTONE)
Show SMILES CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:10.9,15.14|
Show InChI InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)
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11n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85174
PNG
(CAS_5311224 | GR 63799X | NSC_5311224)
Show SMILES OC(COC1C(O)CC(=O)C1CCC=CCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |w:13.13|
Show InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1-8,11-14,17-20,26,29,31,33,36,38H,9-10,15-16,21-23H2,(H,35,40)
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11n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85338
PNG
(CAS_73121-56-9 | ENPROSTIL | NSC_5282207)
Show SMILES COC(=O)CCC=C=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:12.11,(-.79,-17.87,;.54,-17.1,;1.88,-17.87,;1.88,-19.41,;3.21,-17.1,;4.55,-17.87,;5.88,-17.1,;7.21,-17.87,;8.55,-18.64,;9.88,-17.87,;11.21,-18.64,;12.62,-18.02,;12.94,-16.51,;14.41,-16.03,;14.73,-14.53,;13.58,-13.5,;16.19,-14.05,;16.51,-12.55,;17.98,-12.07,;18.3,-10.56,;19.76,-10.09,;20.9,-11.12,;20.58,-12.62,;19.12,-13.1,;13.65,-19.16,;15.18,-19,;12.88,-20.49,;11.38,-20.17,;10.23,-21.2,)|
Show InChI InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3
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12n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM82094
PNG
(17-PHENYL TRINOR PROSTAGLANDIN E2 | CAS_38315-43-4...)
Show SMILES O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233525
PNG
(CHEMBL4094939)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1Cc1ccc(cc1)S(C)(=O)=O
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50213911
PNG
(2-(2-cyclohexyl-4-(trifluoromethyl)phenoxy)acetic ...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
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20n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85183
PNG
(CAS_60325-46-4 | NSC_43251 | SULPROSTONE)
Show SMILES CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:10.9,15.14|
Show InChI InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)
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21n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50106547
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
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22n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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24n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85338
PNG
(CAS_73121-56-9 | ENPROSTIL | NSC_5282207)
Show SMILES COC(=O)CCC=C=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:12.11,(-.79,-17.87,;.54,-17.1,;1.88,-17.87,;1.88,-19.41,;3.21,-17.1,;4.55,-17.87,;5.88,-17.1,;7.21,-17.87,;8.55,-18.64,;9.88,-17.87,;11.21,-18.64,;12.62,-18.02,;12.94,-16.51,;14.41,-16.03,;14.73,-14.53,;13.58,-13.5,;16.19,-14.05,;16.51,-12.55,;17.98,-12.07,;18.3,-10.56,;19.76,-10.09,;20.9,-11.12,;20.58,-12.62,;19.12,-13.1,;13.65,-19.16,;15.18,-19,;12.88,-20.49,;11.38,-20.17,;10.23,-21.2,)|
Show InChI InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3
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25n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85178
PNG
(CAS_59122-46-2 | MISOPROSTOL | MISOPROSTOL (Methyl...)
Show SMILES CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC |w:8.7|
Show InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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28n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85346
PNG
(CAS_132045 | NSC_132045 | SC-46275)
Show SMILES COC(=O)CCC=CCCC1C(C=CCC(C)(O)C=CC2=CCCC2)C(O)CC1=O |w:13.13,7.7,18.17,t:20|
Show InChI InChI=1S/C25H36O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9-10,13,15,17,20-21,23,27,29H,5-8,11-12,14,16,18H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233528
PNG
(CHEMBL3912535)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
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29n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233526
PNG
(CHEMBL3983909)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
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31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs


Bioorg Med Chem 21: 6582-91 (2013)


Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233521
PNG
(CHEMBL3975922)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C)S(C)(=O)=O
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31n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50085910
PNG
((Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenox...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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31n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296848
PNG
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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31n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296849
PNG
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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35n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296850
PNG
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50442299
PNG
(CHEMBL2442750)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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36n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs


Bioorg Med Chem 21: 6582-91 (2013)


Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1
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37n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296847
PNG
(2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...)
Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)
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43n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233530
PNG
(CHEMBL4086277)
Show SMILES CCc1ccc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1
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47n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296859
PNG
(2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)
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48n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233529
PNG
(CHEMBL4073398)
Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1
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50n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150906
PNG
((E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19?,21-,22-,23+,24-/m1/s1
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52n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296857
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
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52n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
PTGER3


(BOVINE)
BDBM85178
PNG
(CAS_59122-46-2 | MISOPROSTOL | MISOPROSTOL (Methyl...)
Show SMILES CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC |w:8.7|
Show InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3
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54n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296846
PNG
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22)
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56n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM85339
PNG
(17-PHENYL TRINOR PGF2ALPHA-IPR | CAS_130209-76-6 |...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc1ccccc1 |r|
Show InChI InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1
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59n/an/an/an/an/an/an/an/a



Alcon Laboratories Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1094-102 (1998)


Article DOI: 10.1111/cbdd.12580
BindingDB Entry DOI: 10.7270/Q2KK99BC
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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59n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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59n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50247862
PNG
(5Z-(9S,11R,15S)-13-Oxa-17-(3-trifluoromethyl)pheny...)
Show SMILES O[C@@H](CCc1cccc(c1)C(F)(F)F)CO[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C23H31F3O6/c24-23(25,26)16-7-5-6-15(12-16)10-11-17(27)14-32-22-18(19(28)13-20(22)29)8-3-1-2-4-9-21(30)31/h1,3,5-7,12,17-20,22,27-29H,2,4,8-11,13-14H2,(H,30,31)/b3-1-/t17-,18-,19-,20+,22+/m0/s1
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72n/an/an/an/an/an/an/an/a



Alcon Research Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane


Bioorg Med Chem 17: 576-84 (2009)


Article DOI: 10.1016/j.bmc.2008.11.070
BindingDB Entry DOI: 10.7270/Q2RJ4JC1
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50233532
PNG
(CHEMBL4064804)
Show SMILES Cc1c(CC(O)=O)c2ccc(C)nc2n1Cc1ccc(cc1)S(C)(=O)=O
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72n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL




ACS Med Chem Lett 8: 582-586 (2017)


BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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73n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4794-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50213912
PNG
((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)
Show SMILES C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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75n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
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