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15 molecules are shown

Wt: 277.2
BDBM24837
Wt: 291.3
BDBM24838
Wt: 291.3
BDBM24839
Wt: 311.7
BDBM24840
Wt: 291.3
BDBM24841
Wt: 325.7
BDBM24842
Wt: 325.7
BDBM24843
Wt: 305.3
BDBM24846
Wt: 339.8
BDBM24847
Wt: 323.3
BDBM24848
Wt: 319.4
BDBM24849
Purchase
Wt: 365.4
BDBM24850
Wt: 339.8
BDBM24852
Wt: 319.4
BDBM24853
Wt: 330.3
BDBM24855

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 24837,24838,24839,24840,24841,24842,24843,24846,24847,24848,24849,24850,24852,24853,24855   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24837
PNG
(N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3...)
Show SMILES N(c1ccccc1-c1nnc[nH]1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H11N7/c1-2-4-11(9(3-1)14-18-8-19-21-14)20-13-10-5-6-15-12(10)16-7-17-13/h1-8H,(H,18,19,21)(H2,15,16,17,20)
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n/an/a 210n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24837
PNG
(N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3...)
Show SMILES N(c1ccccc1-c1nnc[nH]1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H11N7/c1-2-4-11(9(3-1)14-18-8-19-21-14)20-13-10-5-6-15-12(10)16-7-17-13/h1-8H,(H,18,19,21)(H2,15,16,17,20)
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n/an/a 288n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24839
PNG
(5-methyl-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...)
Show SMILES Cc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12
Show InChI InChI=1S/C15H13N7/c1-9-6-16-14-12(9)15(18-7-17-14)21-11-5-3-2-4-10(11)13-19-8-20-22-13/h2-8H,1H3,(H,19,20,22)(H2,16,17,18,21)
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n/an/a 425n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24840
PNG
(5-chloro-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...)
Show SMILES Clc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12
Show InChI InChI=1S/C14H10ClN7/c15-9-5-16-13-11(9)14(18-6-17-13)21-10-4-2-1-3-8(10)12-19-7-20-22-12/h1-7H,(H,19,20,22)(H2,16,17,18,21)
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n/an/a 318n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24841
PNG
(N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-py...)
Show SMILES Cc1nnc([nH]1)-c1ccccc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)
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n/an/a 151n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24842
PNG
(N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phen...)
Show SMILES Cc1nnc([nH]1)-c1cc(Cl)ccc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H12ClN7/c1-8-20-15(23-22-8)11-6-9(16)2-3-12(11)21-14-10-4-5-17-13(10)18-7-19-14/h2-7H,1H3,(H,20,22,23)(H2,17,18,19,21)
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n/an/a 171n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24843
PNG
(N-[5-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phen...)
Show SMILES Cc1nnc([nH]1)-c1ccc(Cl)cc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H12ClN7/c1-8-20-15(23-22-8)10-3-2-9(16)6-12(10)21-14-11-4-5-17-13(11)18-7-19-14/h2-7H,1H3,(H,20,22,23)(H2,17,18,19,21)
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n/an/a>1.00E+4n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24846
PNG
(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-dihydrospi...)
Show SMILES C1N(c2ccccc2C11CCNCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H19N5/c1-2-4-15-14(3-1)18(6-9-19-10-7-18)11-23(15)17-13-5-8-20-16(13)21-12-22-17/h1-5,8,12,19H,6-7,9-11H2,(H,20,21,22)
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n/an/a 5.30n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24847
PNG
(5-chloro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Clc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18ClN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
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n/an/a 4.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24848
PNG
(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
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n/an/a 3.10n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24849
PNG
(1'-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-...)
Show SMILES CN1CCC2(CN(c3ccccc23)c2ncnc3[nH]ccc23)CC1
Show InChI InChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22)
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n/an/a 12.7n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24850
PNG
(1-(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,...)
Show SMILES CC(=O)N1CCC2(CN(c3ccc(F)cc23)c2ncnc3[nH]ccc23)CC1
Show InChI InChI=1S/C20H20FN5O/c1-13(27)25-8-5-20(6-9-25)11-26(17-3-2-14(21)10-16(17)20)19-15-4-7-22-18(15)23-12-24-19/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,22,23,24)
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n/an/a 2.79E+3n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24852
PNG
(1-{5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C18H18ClN5/c19-13-9-21-16-15(13)17(23-11-22-16)24-10-18(5-7-20-8-6-18)12-3-1-2-4-14(12)24/h1-4,9,11,20H,5-8,10H2,(H,21,22,23)
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n/an/a 5.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24853
PNG
(1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23)
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n/an/a 4.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
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n/an/a 2.40n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM24838
PNG
(7-methyl-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...)
Show SMILES Cn1ccc2c(Nc3ccccc3-c3nnc[nH]3)ncnc12
Show InChI InChI=1S/C15H13N7/c1-22-7-6-11-13(16-8-18-15(11)22)20-12-5-3-2-4-10(12)14-17-9-19-21-14/h2-9H,1H3,(H,16,18,20)(H,17,19,21)
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n/an/a>1.00E+4n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair