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Compile Data Set for Download or QSAR

Found 2111 hits with Last Name = 'lamont' and Initial = 's'   
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 E2 receptor


(Homo sapiens (Human))
BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O
Show InChI InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)
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0.140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM85603
PNG
(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
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0.300n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
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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0.330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
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
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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0.350n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM85175
PNG
(BW245C | CAS_72814-32-5 | NSC_3080928)
Show SMILES OC(CCn1c(CCCCCCC(O)=O)c(O)[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14,16,22,25H,1-13H2,(H,20,26)(H,23,24)
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0.400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
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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0.470n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193920
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
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0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
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0.700n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
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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0.790n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
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0.900n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184222
PNG
(2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(me...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4ccc(Cl)cc4n3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184241
PNG
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193921
PNG
(3-(2-(naphthalen-2-ylmethyl)phenyl)-N-(thiophen-2-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H19NO3S2/c26-23(25-30(27,28)24-10-5-15-29-24)14-13-20-7-2-4-9-22(20)17-18-11-12-19-6-1-3-8-21(19)16-18/h1-16H,17H2,(H,25,26)/b14-13+
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193918
PNG
(3-(2-((E)-3-(4-(benzyloxy)-3-methoxyphenyl)prop-1-...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-10,12-21H,11,22H2,1H3,(H,31,32)/b14-7+,19-17+
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193938
PNG
(3-(2-(4-(benzyloxy)-3-methoxycinnamyl)phenyl)-N-(t...)
Show SMILES COc1cc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b11-7+,19-17+
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184215
PNG
(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21
Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM82213
PNG
(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184230
PNG
(2-((R)-9-(4-chlorobenzyl)-8-((S)-methylsulfinyl)-2...)
Show SMILES C[S@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184236
PNG
(2-(4-(4-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-2-5-14(23)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184213
PNG
(2-(9-(4-chlorobenzyl)-8-isopropyl-2,3,4,9-tetrahyd...)
Show SMILES CC(C)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C24H26ClNO2/c1-15(2)19-6-4-8-21-20-7-3-5-17(13-22(27)28)23(20)26(24(19)21)14-16-9-11-18(25)12-10-16/h4,6,8-12,15,17H,3,5,7,13-14H2,1-2H3,(H,27,28)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184216
PNG
(2-((R)-9-(4-chlorobenzyl)-8-((R)-methylsulfinyl)-2...)
Show SMILES C[S@@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM85603
PNG
(CAS_5311503 | NSC_5311503 | ZK110841)
Show SMILES OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1
Show InChI InChI=1S/C21H33ClO4/c22-18-14-20(24)17(12-13-19(23)15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-21(25)26/h1,6,12-13,15-20,23-24H,2-5,7-11,14H2,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184225
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184244
PNG
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
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2.20n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85173
PNG
(CAS_40666-16-8 | FLUPROSTENOL | NSC_5311100)
Show SMILES OC(COc1cccc(c1)C(F)(F)F)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)
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2.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193923
PNG
(3-(2-(4-methoxycinnamyl)phenyl)-N-(thiophen-2-ylsu...)
Show SMILES COc1ccc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H21NO4S2/c1-28-21-14-11-18(12-15-21)6-4-9-19-7-2-3-8-20(19)13-16-22(25)24-30(26,27)23-10-5-17-29-23/h2-8,10-17H,9H2,1H3,(H,24,25)/b6-4+,16-13+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193920
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193937
PNG
(3-(2-((E)-3-(4-methoxyphenyl)prop-1-enyl)phenyl)-N...)
Show SMILES COc1ccc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H21NO4S2/c1-28-21-14-11-18(12-15-21)6-4-9-19-7-2-3-8-20(19)13-16-22(25)24-30(26,27)23-10-5-17-29-23/h2-5,7-17H,6H2,1H3,(H,24,25)/b9-4+,16-13+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184228
PNG
(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21
Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25)
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184244
PNG
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184241
PNG
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184238
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfinyl)-2,3,4,9-t...)
Show SMILES CS(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50240648
PNG
(LATANOPROST (FREE ACID) | PhXA 41 | Xalatan | isop...)
Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C26H40O5/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/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184219
PNG
(2-(4-(4-chlorobenzyl)-5-cyclohexyl-7-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(C2CCCCC2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C27H30ClNO4S/c1-34(32,33)21-14-23(18-5-3-2-4-6-18)27-24(15-21)22-12-9-19(13-25(30)31)26(22)29(27)16-17-7-10-20(28)11-8-17/h7-8,10-11,14-15,18-19H,2-6,9,12-13,16H2,1H3,(H,30,31)
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160907
PNG
(5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-18-6-7-21(28-14-15-4-2-1-3-5-15)20(11-18)19-8-9-29-22(19)16-10-17(23(26)27)13-25-12-16/h1-13H,14H2,(H,26,27)
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160912
PNG
(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134526
PNG
(2-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl...)
Show SMILES OC(=O)C1CC1c1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C27H22O3S/c28-27(29)24-15-23(24)21-11-5-4-10-20(21)19-14-26(31-17-19)22-12-6-7-13-25(22)30-16-18-8-2-1-3-9-18/h1-14,17,23-24H,15-16H2,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00794-7
BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193926
PNG
(3-(2-(2-(2,6-dichlorobenzyloxy)-5-methylcinnamyl)p...)
Show SMILES Cc1ccc(OCc2c(Cl)cccc2Cl)c(\C=C\Cc2ccccc2\C=C\C(O)=O)c1
Show InChI InChI=1S/C26H22Cl2O3/c1-18-12-14-25(31-17-22-23(27)10-5-11-24(22)28)21(16-18)9-4-8-19-6-2-3-7-20(19)13-15-26(29)30/h2-7,9-16H,8,17H2,1H3,(H,29,30)/b9-4+,15-13+
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159778
PNG
((E)-3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-meth...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O3/c1-18-7-4-11-21(26(18)31-17-22-23(27)13-6-14-24(22)28)12-5-10-19-8-2-3-9-20(19)15-16-25(29)30/h2-9,11-16H,10,17H2,1H3,(H,29,30)/b12-5+,16-15+
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193924
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C27H22O3/c28-27(29)15-13-22-8-4-5-9-23(22)16-21-10-11-25-18-26(14-12-24(25)17-21)30-19-20-6-2-1-3-7-20/h1-15,17-18H,16,19H2,(H,28,29)/b15-13+
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3.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
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