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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'duraiswami' and Initial = 'c'   
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
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92766
PNG
(PDF inhibitor, compound 8)
Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r|
Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1
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53.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92761
PNG
(PDF inhibitor, compound 3)
Show SMILES CNC(=O)[C@@H]1CSCN1c1nc(Nc2c(C)cccc2C(=O)NC)nc(n1)N1CCN(CC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1
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117n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92764
PNG
(PDF inhibitor, compound 6)
Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r|
Show InChI InChI=1S/C28H34ClN9O4S/c1-18-6-5-7-20(25(40)30-2)24(18)31-26-32-27(37-12-10-36(11-13-37)22-9-4-3-8-21(22)29)34-28(33-26)38-17-43-16-19(38)14-42-15-23(39)35-41/h3-9,19,41H,10-17H2,1-2H3,(H,30,40)(H,35,39)(H,31,32,33,34)/t19-/m1/s1
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213n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92760
PNG
(PDF inhibitor, compound 2)
Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r|
Show InChI InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1
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334n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92765
PNG
(PDF inhibitor, compound 7)
Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r|
Show InChI InChI=1S/C26H30ClN9O3S/c1-17-6-2-4-8-19(17)29-24-30-25(35-12-10-34(11-13-35)20-9-5-3-7-18(20)27)32-26(31-24)36-16-40-15-21(36)23(38)28-14-22(37)33-39/h2-9,21,39H,10-16H2,1H3,(H,28,38)(H,33,37)(H,29,30,31,32)/t21-/m0/s1
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650n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92759
PNG
(PDF inhibitor, compound 1)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(8-22(25)9-23)12(24)20-21-13-18-7-6-11(19-13)14(15,16)17/h6-7,9-10,25H,2-5,8H2,1H3,(H,20,24)(H,18,19,21)/t10-/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92762
PNG
(PDF inhibitor, compound 4)
Show SMILES OC(CCNC(=O)c1cccc(Cl)c1Cl)C=O
Show InChI InChI=1S/C11H11Cl2NO3/c12-9-3-1-2-8(10(9)13)11(17)14-5-4-7(16)6-15/h1-3,6-7,16H,4-5H2,(H,14,17)
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2.59E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92763
PNG
(PDF inhibitor, compound 5)
Show SMILES ON(CCOc1cccc(Cl)c1Cl)C=O
Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-3-8(9(7)11)15-5-4-12(14)6-13/h1-3,6,14H,4-5H2
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3.17E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50415020
PNG
(CHEMBL570708)
Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24)
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay


Bioorg Med Chem Lett 19: 4916-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 1 mutant (R132G)


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 2.90n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 3.80n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132H


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 4.60n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50304973
PNG
((S)-4-((2-bromobenzyl)(1-(methylsulfonyl)pyrrolidi...)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H19BrClN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304972
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304978
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-chloroben...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19Cl2N3O2/c1-27-20(26)24-9-8-17(13-24)25(12-15-4-2-3-5-18(15)21)16-7-6-14(11-23)19(22)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298033
PNG
((S)-ethyl 2-(3-((3-chloro-4-cyanophenyl)(2-chlorob...)
Show SMILES CCOC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23Cl2N3O2/c1-2-29-22(28)15-26-10-9-19(14-26)27(13-17-5-3-4-6-20(17)23)18-8-7-16(12-25)21(24)11-18/h3-8,11,19H,2,9-10,13-15H2,1H3/t19-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304987
PNG
((S)-4-((2-bromobenzyl)(1-propionylpyrrolidin-3-yl)...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21BrClN3O/c1-2-21(27)25-10-9-18(14-25)26(13-16-5-3-4-6-19(16)22)17-8-7-15(12-24)20(23)11-17/h3-8,11,18H,2,9-10,13-14H2,1H3/t18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298032
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(cyanomethyl)py...)
Show SMILES Clc1ccccc1CN([C@H]1CCN(CC#N)C1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2N4/c21-19-4-2-1-3-16(19)13-26(18-7-9-25(14-18)10-8-23)17-6-5-15(12-24)20(22)11-17/h1-6,11,18H,7,9-10,13-14H2/t18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298210
PNG
((S)-2-chloro-4-((2,5-dichlorobenzyl)(1-ethyl-5-oxo...)
Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl3N3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(21)4-6-18(14)22)16-5-3-13(10-24)19(23)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298208
PNG
((S)-2-chloro-4-((2-chloro-5-fluorobenzyl)(1-ethyl-...)
Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2FN3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(23)4-6-18(14)21)16-5-3-13(10-24)19(22)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298207
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-isopropyl-5-oxo...)
Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21Cl2N3O/c1-14(2)25-13-18(10-21(25)27)26(12-16-5-3-4-6-19(16)22)17-8-7-15(11-24)20(23)9-17/h3-9,14,18H,10,12-13H2,1-2H3/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304976
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-fluoroben...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClFN3O2/c1-27-20(26)24-9-8-17(13-24)25(12-15-4-2-3-5-19(15)22)16-7-6-14(11-23)18(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304977
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-methylben...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-15-5-3-4-6-17(15)13-25(18-8-7-16(12-23)20(22)11-18)19-9-10-24(14-19)21(26)27-2/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304975
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-(trifluor...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClF3N3O2/c1-30-20(29)27-9-8-17(13-27)28(16-7-6-14(11-26)19(22)10-16)12-15-4-2-3-5-18(15)21(23,24)25/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298030
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluor...)
Show SMILES FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20Cl2F3N3/c22-19-4-2-1-3-16(19)13-29(17-6-5-15(12-27)20(23)11-17)18-7-9-28(14-18)10-8-21(24,25)26/h1-6,11,18H,7-10,13-14H2/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304964
PNG
((S)-2-chloro-4-((1-(methylsulfonyl)pyrrolidin-3-yl...)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3O2S/c1-30(28,29)26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298209
PNG
((S)-2-chloro-4-((1-ethyl-5-oxopyrrolidin-3-yl)(2-m...)
Show SMILES CCN1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O/c1-3-24-14-19(11-21(24)26)25(13-17-7-5-4-6-15(17)2)18-9-8-16(12-23)20(22)10-18/h4-10,19H,3,11,13-14H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298219
PNG
((R)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m1/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50304957
PNG
((S)-2-chloro-4-((2-methylbenzyl)(1-propionylpyrrol...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O/c1-3-22(27)25-11-10-20(15-25)26(14-18-7-5-4-6-16(18)2)19-9-8-17(13-24)21(23)12-19/h4-9,12,20H,3,10-11,14-15H2,1-2H3/t20-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304974
PNG
((S)-2-chloro-4-((2-methylbenzyl)(1-(methylsulfonyl...)
Show SMILES Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298043
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-methylpyrrolidi...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H19Cl2N3/c1-23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304979
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2,3-difluor...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18ClF2N3O2/c1-28-20(27)25-8-7-16(12-25)26(11-14-3-2-4-18(22)19(14)23)15-6-5-13(10-24)17(21)9-15/h2-6,9,16H,7-8,11-12H2,1H3/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298035
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(pyridin-2-ylme...)
Show SMILES Clc1ccccc1CN([C@H]1CCN(Cc2ccccn2)C1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C24H22Cl2N4/c25-23-7-2-1-5-19(23)15-30(21-9-8-18(14-27)24(26)13-21)22-10-12-29(17-22)16-20-6-3-4-11-28-20/h1-9,11,13,22H,10,12,15-17H2/t22-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298029
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-isopropylpyrrol...)
Show SMILES CC(C)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H23Cl2N3/c1-15(2)25-10-9-19(14-25)26(13-17-5-3-4-6-20(17)22)18-8-7-16(12-24)21(23)11-18/h3-8,11,15,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298211
PNG
((S)-2-chloro-4-((1-isopropyl-5-oxopyrrolidin-3-yl)...)
Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O/c1-15(2)25-14-20(11-22(25)27)26(13-18-7-5-4-6-16(18)3)19-9-8-17(12-24)21(23)10-19/h4-10,15,20H,11,13-14H2,1-3H3/t20-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304971
PNG
((S)-2-chloro-4-((2-fluorobenzyl)(1-(methylsulfonyl...)
Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H19ClFN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-19(15)21)16-7-6-14(11-22)18(20)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298212
PNG
((S)-2-chloro-4-((2-fluorobenzyl)(1-methyl-5-oxopyr...)
Show SMILES CN1C[C@H](CC1=O)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17ClFN3O/c1-23-12-16(9-19(23)25)24(11-14-4-2-3-5-18(14)21)15-7-6-13(10-22)17(20)8-15/h2-8,16H,9,11-12H2,1H3/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304980
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(5-fluoro-2-...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-14-3-5-17(23)9-16(14)12-26(18-6-4-15(11-24)20(22)10-18)19-7-8-25(13-19)21(27)28-2/h3-6,9-10,19H,7-8,12-13H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304958
PNG
((S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propio...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O/c1-3-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304959
PNG
((S)-2-chloro-4-((2,5-dichlorobenzyl)(1-propionylpy...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20Cl3N3O/c1-2-21(28)26-8-7-18(13-26)27(12-15-9-16(22)4-6-19(15)23)17-5-3-14(11-25)20(24)10-17/h3-6,9-10,18H,2,7-8,12-13H2,1H3/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298206
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-methyl-5-oxopyr...)
Show SMILES CN1C[C@H](CC1=O)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17Cl2N3O/c1-23-12-16(9-19(23)25)24(11-14-4-2-3-5-17(14)20)15-7-6-13(10-22)18(21)8-15/h2-8,16H,9,11-12H2,1H3/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304984
PNG
((S)-2-chloro-4-((1-propionylpyrrolidin-3-yl)(2-(tr...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H21ClF3N3O/c1-2-21(30)28-10-9-18(14-28)29(17-8-7-15(12-27)20(23)11-17)13-16-5-3-4-6-19(16)22(24,25)26/h3-8,11,18H,2,9-10,13-14H2,1H3/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304985
PNG
((S)-2-chloro-4-((1-isobutyrylpyrrolidin-3-yl)(2-(t...)
Show SMILES CC(C)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C23H23ClF3N3O/c1-15(2)22(31)29-10-9-19(14-29)30(18-8-7-16(12-28)21(24)11-18)13-17-5-3-4-6-20(17)23(25,26)27/h3-8,11,15,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298214
PNG
((S)-2-chloro-4-((1-methyl-5-oxopyrrolidin-3-yl)(2-...)
Show SMILES CN1C[C@H](CC1=O)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H17ClF3N3O/c1-26-12-16(9-19(26)28)27(15-7-6-13(10-25)18(21)8-15)11-14-4-2-3-5-17(14)20(22,23)24/h2-8,16H,9,11-12H2,1H3/t16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298213
PNG
((S)-2-chloro-4-((2,3-difluorobenzyl)(1-methyl-5-ox...)
Show SMILES CN1C[C@H](CC1=O)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C19H16ClF2N3O/c1-24-11-15(8-18(24)26)25(10-13-3-2-4-17(21)19(13)22)14-6-5-12(9-23)16(20)7-14/h2-7,15H,8,10-11H2,1H3/t15-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298031
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(2-methoxyethyl...)
Show SMILES COCCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H23Cl2N3O/c1-27-11-10-25-9-8-19(15-25)26(14-17-4-2-3-5-20(17)22)18-7-6-16(13-24)21(23)12-18/h2-7,12,19H,8-11,14-15H2,1H3/t19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304981
PNG
((S)-ethyl 3-((3-chloro-4-cyanophenyl)(5-fluoro-2-m...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O2/c1-3-29-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50304983
PNG
((S)-4-((1-acetylpyrrolidin-3-yl)(2-(trifluoromethy...)
Show SMILES CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H19ClF3N3O/c1-14(29)27-9-8-18(13-27)28(17-7-6-15(11-26)20(22)10-17)12-16-4-2-3-5-19(16)21(23,24)25/h2-7,10,18H,8-9,12-13H2,1H3/t18-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
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