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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'suchanek' and Initial = 'e'   
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 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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n/an/a 2n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188343
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32)
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n/an/a 2n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085911
PNG
(7-{(1R,2R,3R,5S)-2-[(R)-4-(3-Chloro-phenoxy)-3-hyd...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C22H33ClO6/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188342
PNG
(4-(2,6-dichloro-phenyl)-8-(4-morpholin-4-yl-phenyl...)
Show SMILES Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|
Show InChI InChI=1S/C25H22Cl2N6O2/c26-19-2-1-3-20(27)23(19)21-14-16-15-28-25(30-24(16)32-9-8-22(34)33(21)32)29-17-4-6-18(7-5-17)31-10-12-35-13-11-31/h1-7,14-15H,8-13H2,(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50188343
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085916
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-but...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1ccccc1
Show InChI InChI=1S/C22H34O5S/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/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
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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n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188348
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-(4-dimethylamino-p...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H21ClN6O2/c1-28(2)16-5-3-15(4-6-16)26-23-25-13-14-11-20(18-12-17(31)7-8-19(18)24)30-21(32)9-10-29(30)22(14)27-23/h3-8,11-13,31H,9-10H2,1-2H3,(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085919
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulf...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
Show InChI InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085909
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-butyl)-cyc...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1ccccc1
Show InChI InChI=1S/C22H34O6/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/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16-,18-,19-,20+,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085912
PNG
(7-{2-[4-(3-Chloro-phenylsulfanyl)-3-hydroxy-butyl]...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(Cl)c1
Show InChI InChI=1S/C22H33ClO5S/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188357
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|
Show InChI InChI=1S/C25H24Cl2N6O/c1-31(2)12-10-16-6-8-18(9-7-16)29-25-28-15-17-14-21(23-19(26)4-3-5-20(23)27)33-22(34)11-13-32(33)24(17)30-25/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188352
PNG
(4-(2,6-dichloro-phenyl)-8-(4-dimethylamino-phenyla...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H20Cl2N6O/c1-29(2)16-8-6-15(7-9-16)27-23-26-13-14-12-19(21-17(24)4-3-5-18(21)25)31-20(32)10-11-30(31)22(14)28-23/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)
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n/an/a 26n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085913
PNG
(7-{2-[4-(3-Fluoro-phenylsulfanyl)-3-hydroxy-butyl]...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(F)c1
Show InChI InChI=1S/C22H33FO5S/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188347
PNG
(4-(2,6-dichloro-phenyl)-8-(4-diethylamino-phenylam...)
Show SMILES CCN(CC)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|
Show InChI InChI=1S/C25H24Cl2N6O/c1-3-31(4-2)18-10-8-17(9-11-18)29-25-28-15-16-14-21(23-19(26)6-5-7-20(23)27)33-22(34)12-13-32(33)24(16)30-25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,28,29,30)
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n/an/a 43n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188340
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-[4-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C26H26ClN7O2/c1-31-10-12-32(13-11-31)19-4-2-18(3-5-19)29-26-28-16-17-14-23(21-15-20(35)6-7-22(21)27)34-24(36)8-9-33(34)25(17)30-26/h2-7,14-16,35H,8-13H2,1H3,(H,28,29,30)
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n/an/a 47n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50188343
PNG
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32)
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n/an/a 48n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085918
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-m-tolylsulfanyl-bu...)
Show SMILES Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C23H36O5S/c1-16-7-6-8-18(13-16)29-15-17(24)11-12-20-19(21(25)14-22(20)26)9-4-2-3-5-10-23(27)28/h6-8,13,17,19-22,24-26H,2-5,9-12,14-15H2,1H3,(H,27,28)/t17?,19-,20-,21+,22-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188356
PNG
(4-(2,6-dichloro-phenyl)-8-(4-methoxy-phenylamino)-...)
Show SMILES COc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:11|
Show InChI InChI=1S/C22H17Cl2N5O2/c1-31-15-7-5-14(6-8-15)26-22-25-12-13-11-18(20-16(23)3-2-4-17(20)24)29-19(30)9-10-28(29)21(13)27-22/h2-8,11-12H,9-10H2,1H3,(H,25,26,27)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085908
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylamino-butyl)...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CNc1ccccc1
Show InChI InChI=1S/C22H35NO5/c24-17(15-23-16-8-4-3-5-9-16)12-13-19-18(20(25)14-21(19)26)10-6-1-2-7-11-22(27)28/h3-5,8-9,17-21,23-26H,1-2,6-7,10-15H2,(H,27,28)/t17?,18-,19-,20+,21-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50188342
PNG
(4-(2,6-dichloro-phenyl)-8-(4-morpholin-4-yl-phenyl...)
Show SMILES Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|
Show InChI InChI=1S/C25H22Cl2N6O2/c26-19-2-1-3-20(27)23(19)21-14-16-15-28-25(30-24(16)32-9-8-22(34)33(21)32)29-17-4-6-18(7-5-17)31-10-12-35-13-11-31/h1-7,14-15H,8-13H2,(H,28,29,30)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188349
PNG
(4-(2,6-dichloro-phenyl)-8-(4-fluoro-phenylamino)-1...)
Show SMILES Fc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:10|
Show InChI InChI=1S/C21H14Cl2FN5O/c22-15-2-1-3-16(23)19(15)17-10-12-11-25-21(26-14-6-4-13(24)5-7-14)27-20(12)28-9-8-18(30)29(17)28/h1-7,10-11H,8-9H2,(H,25,26,27)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188350
PNG
(4-[4-(2,6-dichloro-phenyl)-3-oxo-2,3-dihydro-1H-3a...)
Show SMILES COC(=O)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:13|
Show InChI InChI=1S/C23H17Cl2N5O3/c1-33-22(32)13-5-7-15(8-6-13)27-23-26-12-14-11-18(20-16(24)3-2-4-17(20)25)30-19(31)9-10-29(30)21(14)28-23/h2-8,11-12H,9-10H2,1H3,(H,26,27,28)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50188342
PNG
(4-(2,6-dichloro-phenyl)-8-(4-morpholin-4-yl-phenyl...)
Show SMILES Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|
Show InChI InChI=1S/C25H22Cl2N6O2/c26-19-2-1-3-20(27)23(19)21-14-16-15-28-25(30-24(16)32-9-8-22(34)33(21)32)29-17-4-6-18(7-5-17)31-10-12-35-13-11-31/h1-7,14-15H,8-13H2,(H,28,29,30)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188355
PNG
(4-(2,6-dichloro-phenyl)-8-(3-methoxy-phenylamino)-...)
Show SMILES COc1cccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)c1 |c:12|
Show InChI InChI=1S/C22H17Cl2N5O2/c1-31-15-5-2-4-14(11-15)26-22-25-12-13-10-18(20-16(23)6-3-7-17(20)24)29-19(30)8-9-28(29)21(13)27-22/h2-7,10-12H,8-9H2,1H3,(H,25,26,27)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188353
PNG
(4-(2,6-dichloro-phenyl)-8-phenylamino-1,2-dihydro-...)
Show SMILES Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccccc3)nc2N2CCC(=O)N12 |t:9|
Show InChI InChI=1S/C21H15Cl2N5O/c22-15-7-4-8-16(23)19(15)17-11-13-12-24-21(25-14-5-2-1-3-6-14)26-20(13)27-10-9-18(29)28(17)27/h1-8,11-12H,9-10H2,(H,24,25,26)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50188348
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-(4-dimethylamino-p...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H21ClN6O2/c1-28(2)16-5-3-15(4-6-16)26-23-25-13-14-11-20(18-12-17(31)7-8-19(18)24)30-21(32)9-10-29(30)22(14)27-23/h3-8,11-13,31H,9-10H2,1-2H3,(H,25,26,27)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188354
PNG
(4-(2,6-dichloro-phenyl)-8-(4-ethoxy-phenylamino)-1...)
Show SMILES CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-2-32-16-8-6-15(7-9-16)27-23-26-13-14-12-19(21-17(24)4-3-5-18(21)25)30-20(31)10-11-29(30)22(14)28-23/h3-9,12-13H,2,10-11H2,1H3,(H,26,27,28)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/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/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
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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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP3 receptor expressed in CHO cell line


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085914
PNG
(7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((S)-3-hydroxy-oc...)
Show SMILES CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H38O5/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/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085913
PNG
(7-{2-[4-(3-Fluoro-phenylsulfanyl)-3-hydroxy-butyl]...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(F)c1
Show InChI InChI=1S/C22H33FO5S/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16?,18-,19-,20+,21-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
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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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50188340
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-[4-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C26H26ClN7O2/c1-31-10-12-32(13-11-31)19-4-2-18(3-5-19)29-26-28-16-17-14-23(21-15-20(35)6-7-22(21)27)34-24(36)8-9-33(34)25(17)30-26/h2-7,14-16,35H,8-13H2,1H3,(H,28,29,30)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50188348
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-(4-dimethylamino-p...)
Show SMILES CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|
Show InChI InChI=1S/C23H21ClN6O2/c1-28(2)16-5-3-15(4-6-16)26-23-25-13-14-11-20(18-12-17(31)7-8-19(18)24)30-21(32)9-10-29(30)22(14)27-23/h3-8,11-13,31H,9-10H2,1-2H3,(H,25,26,27)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085917
PNG
(7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-5-...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1ccccc1
Show InChI InChI=1S/C23H36O5/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/h3-5,8-9,18-22,24-26H,1-2,6-7,10-16H2,(H,27,28)/t18-,19+,20+,21-,22+/m0/s1
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n/an/a 570n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(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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n/an/a 635n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP3 receptor expressed in CHO cell line


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085909
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-butyl)-cyc...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1ccccc1
Show InChI InChI=1S/C22H34O6/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/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16-,18-,19-,20+,21-/m1/s1
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n/an/a 713n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50188340
PNG
(4-(2-chloro-5-hydroxy-phenyl)-8-[4-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:17|
Show InChI InChI=1S/C26H26ClN7O2/c1-31-10-12-32(13-11-31)19-4-2-18(3-5-19)29-26-28-16-17-14-23(21-15-20(35)6-7-22(21)27)34-24(36)8-9-33(34)25(17)30-26/h2-7,14-16,35H,8-13H2,1H3,(H,28,29,30)
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n/an/a 764n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085916
PNG
(7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-but...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1ccccc1
Show InChI InChI=1S/C22H34O5S/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/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 912n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50085919
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulf...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
Show InChI InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP3 receptor expressed in CHO cell line


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085919
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulf...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
Show InChI InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50085919
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulf...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
Show InChI InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP2 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085911
PNG
(7-{(1R,2R,3R,5S)-2-[(R)-4-(3-Chloro-phenoxy)-3-hyd...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C22H33ClO6/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085915
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfa...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
Show InChI InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid FP receptor expressed in COS-7 cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50085912
PNG
(7-{2-[4-(3-Chloro-phenylsulfanyl)-3-hydroxy-butyl]...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(Cl)c1
Show InChI InChI=1S/C22H33ClO5S/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/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP2 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50085917
PNG
(7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-5-...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1ccccc1
Show InChI InChI=1S/C23H36O5/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/h3-5,8-9,18-22,24-26H,1-2,6-7,10-16H2,(H,27,28)/t18-,19+,20+,21-,22+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP2 receptor expressed in CHO cells


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50085920
PNG
(7-{3,5-Dihydroxy-2-[3-hydroxy-4-(3-trifluoromethyl...)
Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H33F3O5S/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/h5-7,12,16,18-21,27-29H,1-4,8-11,13-14H2,(H,30,31)/t16?,18-,19-,20+,21-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.


J Med Chem 43: 945-52 (2000)


BindingDB Entry DOI: 10.7270/Q2MW2GCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50188346
PNG
(4-(2,6-dichloro-phenyl)-8-methylamino-1,2-dihydro-...)
Show SMILES CNc1ncc2C=C(N3N(CCC3=O)c2n1)c1c(Cl)cccc1Cl |c:6|
Show InChI InChI=1S/C16H13Cl2N5O/c1-19-16-20-8-9-7-12(14-10(17)3-2-4-11(14)18)23-13(24)5-6-22(23)15(9)21-16/h2-4,7-8H,5-6H2,1H3,(H,19,20,21)
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n/an/a 2.81E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck in presence of 10 mM ATP


Bioorg Med Chem Lett 16: 4257-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.072
BindingDB Entry DOI: 10.7270/Q22V2FQD
More data for this
Ligand-Target Pair
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