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Found 707 hits with Last Name = 'guzi' and Initial = 't'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333988
PNG
((S)-1-(3-((9-ethyl-8-(6-methoxy- 5-methylpyridin-3...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C21H26N6O3/c1-5-16(28)26-8-7-15(11-26)30-21-17-19(23-12-24-21)27(6-2)18(25-17)14-9-13(3)20(29-4)22-10-14/h9-10,12,15H,5-8,11H2,1-4H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333882
PNG
(US9730940, Compound 1-35 | tert-butyl (3S)-3-{[8-(...)
Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C23H32N6O3S/c1-8-29-17(15-11-24-20(33-15)22(2,3)4)27-16-18(29)25-13-26-19(16)31-14-9-10-28(12-14)21(30)32-23(5,6)7/h11,13-14H,8-10,12H2,1-7H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333992
PNG
((S)-1-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C
Show InChI InChI=1S/C20H27N7O2/c1-5-16(28)25-9-8-14(11-25)29-20-17-19(21-12-22-20)26(6-2)18(24-17)15-10-23-27(7-3)13(15)4/h10,12,14H,5-9,11H2,1-4H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333881
PNG
(US9730940, Compound 1-34 | tert-butyl (3S)-3-{[9-e...)
Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C23H30N6O4/c1-7-29-18(15-10-14(2)20(31-6)24-11-15)27-17-19(29)25-13-26-21(17)32-16-8-9-28(12-16)22(30)33-23(3,4)5/h10-11,13,16H,7-9,12H2,1-6H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334110
PNG
(6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H24F2N6O3/c1-3-30-18(13-4-5-16(32-2)25-10-13)28-17-19(30)26-12-27-20(17)33-15-6-7-29(11-15)21(31)14-8-22(23,24)9-14/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332163
PNG
((S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
Show InChI InChI=1S/C22H25N5O2S/c1-27(2)22(29)14-7-5-13(6-8-14)18-10-16-19(30-18)17(20(23)28)12-25-21(16)26-15-4-3-9-24-11-15/h5-8,10,12,15,24H,3-4,9,11H2,1-2H3,(H2,23,28)(H,25,26)/t15-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334021
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H29N7O2/c1-3-31-20(16-11-25-15(2)26-12-16)29-19-21(31)27-14-28-22(19)33-17-6-9-30(13-17)23(32)18-10-24(18)7-4-5-8-24/h11-12,14,17-18H,3-10,13H2,1-2H3/t17-,18?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334126
PNG
((S)-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol-4...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1CC
Show InChI InChI=1S/C23H31N7O3/c1-4-29-20(18-12-26-30(5-2)15(18)3)27-19-21(29)24-14-25-22(19)33-17-6-9-28(13-17)23(31)16-7-10-32-11-8-16/h12,14,16-17H,4-11,13H2,1-3H3/t17-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332159
PNG
((S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)t...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
Show InChI InChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334177
PNG
((S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N7O3/c1-3-32-18(13-4-5-16(26-8-13)22(23,24)25)29-17-19(32)27-12-28-20(17)35-14-6-7-30(9-14)21(33)31-10-15(11-31)34-2/h4-5,8,12,14-15H,3,6-7,9-11H2,1-2H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332171
PNG
((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...)
Show SMILES NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)/t12-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334043
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H24N6O3/c1-3-27-18(14-6-7-16(29-2)22-10-14)25-17-19(27)23-12-24-20(17)30-15-8-9-26(11-15)21(28)13-4-5-13/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334079
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn(c1C)-c1ccccc1
Show InChI InChI=1S/C25H27N7O2/c1-3-31-22(20-13-28-32(16(20)2)18-7-5-4-6-8-18)29-21-23(31)26-15-27-24(21)34-19-11-12-30(14-19)25(33)17-9-10-17/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3/t19-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334081
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C22H23N7O2/c1-2-29-19(15-9-14-5-7-23-18(14)24-10-15)27-17-20(29)25-12-26-21(17)31-16-6-8-28(11-16)22(30)13-3-4-13/h5,7,9-10,12-13,16H,2-4,6,8,11H2,1H3,(H,23,24)/t16-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334083
PNG
(5-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(13-8-15(22(23,24)25)19(33-2)26-9-13)29-16-18(31)27-11-28-20(16)34-14-6-7-30(10-14)21(32)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334085
PNG
(8-(5-chloro-6-methoxypyridin- 3-yl)-6-{[(3S)-1- (c...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(Cl)c1
Show InChI InChI=1S/C21H23ClN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334099
PNG
(N-[5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C22H27N7O5S/c1-4-29-18(14-9-16(27-35(3,31)32)20(33-2)23-10-14)26-17-19(29)24-12-25-21(17)34-15-7-8-28(11-15)22(30)13-5-6-13/h9-10,12-13,15,27H,4-8,11H2,1-3H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334108
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-28-18(15-9-13(2)20(30-3)23-10-15)26-17-19(28)24-12-25-21(17)31-16-7-8-27(11-16)22(29)14-5-6-14/h9-10,12,14,16H,4-8,11H2,1-3H3/t16-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334016
PNG
(9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(15-9-23-14(3)24-10-15)27-18-20(29)25-12-26-21(18)31-16-7-8-28(11-16)22(30)17-6-5-13(17)2/h9-10,12-13,16-17H,4-8,11H2,1-3H3/t13?,16-,17?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334032
PNG
(9-ethyl-6-{[(3S)-1-{[(1S,2S)- or (1R,2R)-2- (fluor...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CF)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H24FN7O2/c1-3-29-18(14-8-23-12(2)24-9-14)27-17-19(29)25-11-26-20(17)31-15-4-5-28(10-15)21(30)16-6-13(16)7-22/h8-9,11,13,15-16H,3-7,10H2,1-2H3/t13?,15-,16?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334112
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C21H23FN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334113
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C21H25FN6O3/c1-5-28-17(13-8-15(22)19(30-4)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334114
PNG
(6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(12-6-15(23)19(33-2)26-9-12)29-16-18(31)27-11-28-20(16)34-14-4-5-30(10-14)21(32)13-7-22(24,25)8-13/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334115
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C23H27FN6O4/c1-3-30-19(15-10-17(24)21(32-2)25-11-15)28-18-20(30)26-13-27-22(18)34-16-4-7-29(12-16)23(31)14-5-8-33-9-6-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t16-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334116
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN8O3/c1-4-31-18(13-9-15(23)20(33-3)24-10-13)27-17-19(31)25-12-26-21(17)34-14-5-8-30(11-14)22(32)16-6-7-29(2)28-16/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334026
PNG
(6-({(3S)-1-[S- or R-(2,2- dimethylcyclopropyl)carb...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3(C)C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-5-29-18(14-9-23-13(2)24-10-14)27-17-19(29)25-12-26-20(17)31-15-6-7-28(11-15)21(30)16-8-22(16,3)4/h9-10,12,15-16H,5-8,11H2,1-4H3/t15-,16?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334119
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn2CCCCc12
Show InChI InChI=1S/C22H27N7O2/c1-2-28-19(16-11-25-29-9-4-3-5-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14-6-7-14/h11,13-15H,2-10,12H2,1H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334122
PNG
(9-ethyl-6-{[(3S)-1-(2- methylpropanoyl)pyrrolidin-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12
Show InChI InChI=1S/C22H29N7O2/c1-4-28-19(16-11-25-29-9-6-5-7-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14(2)3/h11,13-15H,4-10,12H2,1-3H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334102
PNG
(5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N7O2/c1-2-31-17(12-7-14(21(22,23)24)16(25)26-8-12)29-15-18(31)27-10-28-19(15)33-13-5-6-30(9-13)20(32)11-3-4-11/h7-8,10-11,13H,2-6,9H2,1H3,(H2,25,26)/t13-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333923
PNG
(6-({(3S)-1-[(2,2- dimethyltetrahydro-2H-pyran-4- y...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)ncnc2n1C
Show InChI InChI=1S/C24H33N7O3/c1-6-31-15(2)18(12-27-31)20-28-19-21(29(20)5)25-14-26-22(19)34-17-7-9-30(13-17)23(32)16-8-10-33-24(3,4)11-16/h12,14,16-17H,6-11,13H2,1-5H3/t16?,17-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334016
PNG
(9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(15-9-23-14(3)24-10-15)27-18-20(29)25-12-26-21(18)31-16-7-8-28(11-16)22(30)17-6-5-13(17)2/h9-10,12-13,16-17H,4-8,11H2,1-3H3/t13?,16-,17?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334009
PNG
(6-({(3S)-1-[(1R,2S,4S)- bicyclo[2.2.1]hept-2- ylca...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H29N7O2/c1-3-31-21(17-10-25-14(2)26-11-17)29-20-22(31)27-13-28-23(20)33-18-6-7-30(12-18)24(32)19-9-15-4-5-16(19)8-15/h10-11,13,15-16,18-19H,3-9,12H2,1-2H3/t15-,16+,18-,19-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334128
PNG
((R or S )-6-{[5- (cyclopropylcarbonyl)-5- azaspir...)
Show SMILES CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H25N7O2/c1-3-29-18(15-8-23-13(2)24-9-15)27-17-19(29)25-12-26-20(17)31-16-10-28(11-22(16)6-7-22)21(30)14-4-5-14/h8-9,12,14,16H,3-7,10-11H2,1-2H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334158
PNG
(6-{[(3S)-1-(azetidin-1- ylcarbonyl)pyrrolidin-3-yl...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C20H24N8O2/c1-3-28-17(14-9-21-13(2)22-10-14)25-16-18(28)23-12-24-19(16)30-15-5-8-27(11-15)20(29)26-6-4-7-26/h9-10,12,15H,3-8,11H2,1-2H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334029
PNG
(9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(16-9-23-14(3)24-10-16)27-18-20(29)25-12-26-21(18)31-17-5-6-28(11-17)22(30)15-7-13(2)8-15/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t13?,15?,17-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334030
PNG
((1S,2S)- or (1R,2R)-{[(3S)-3- {[9-ethyl-8-(2-methy...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CO)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O3/c1-3-28-18(14-7-22-12(2)23-8-14)26-17-19(28)24-11-25-20(17)31-15-4-5-27(9-15)21(30)16-6-13(16)10-29/h7-8,11,13,15-16,29H,3-6,9-10H2,1-2H3/t13?,15-,16?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442690
PNG
(CHEMBL2442296)
Show SMILES NCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C18H17N5/c19-8-9-20-17-7-10-23-18(22-17)16(12-21-23)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,10-12H,8-9,19H2,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334117
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cncn3C)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN8O3/c1-4-31-18(13-7-15(23)20(33-3)25-8-13)28-17-19(31)26-11-27-21(17)34-14-5-6-30(10-14)22(32)16-9-24-12-29(16)2/h7-9,11-12,14H,4-6,10H2,1-3H3/t14-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334007
PNG
(9-ethyl-6-({(3S)-1-[(2- methylcyclopropyl)carbonyl...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O2/c1-4-28-18(14-8-22-13(3)23-9-14)26-17-19(28)24-11-25-20(17)30-15-5-6-27(10-15)21(29)16-7-12(16)2/h8-9,11-12,15-16H,4-7,10H2,1-3H3/t12?,15-,16?/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333995
PNG
((S)-1-(3-((8-(2-(tert- butyl)thiazol-5-yl)-9-methy...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C20H26N6O2S/c1-6-14(27)26-8-7-12(10-26)28-18-15-17(22-11-23-18)25(5)16(24-15)13-9-21-19(29-13)20(2,3)4/h9,11-12H,6-8,10H2,1-5H3
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442685
PNG
(CHEMBL2442301)
Show SMILES CCN1CCCC1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C23H25N5/c1-2-27-12-5-8-20(27)15-24-22-11-13-28-23(26-22)21(16-25-28)19-10-9-17-6-3-4-7-18(17)14-19/h3-4,6-7,9-11,13-14,16,20H,2,5,8,12,15H2,1H3,(H,24,26)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334111
PNG
(9-ethyl-8-(6-methoxypyridin-3- yl)-6-{[(3S)-1-(tet...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O4/c1-3-29-20(16-4-5-18(31-2)24-12-16)27-19-21(29)25-14-26-22(19)33-17-6-9-28(13-17)23(30)15-7-10-32-11-8-15/h4-5,12,14-15,17H,3,6-11,13H2,1-2H3/t17-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334209
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-pyr...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)c3ccccn3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H22N8O/c1-3-29-19(15-10-23-14(2)24-11-15)27-18-20(29)25-13-26-21(18)30-16-7-9-28(12-16)17-6-4-5-8-22-17/h4-6,8,10-11,13,16H,3,7,9,12H2,1-2H3/t16-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334160
PNG
(9-ethyl-6-({(3S)-1-[(3- methoxyazetidin-1- yl)carb...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H26N8O3/c1-4-29-18(14-7-22-13(2)23-8-14)26-17-19(29)24-12-25-20(17)32-15-5-6-27(9-15)21(30)28-10-16(11-28)31-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3/t15-/m0/s1
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Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332156
PNG
((S)-2-(benzofuran-2-yl)-4-(piperidin-3-ylamino)thi...)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C21H20N4O2S/c22-20(26)15-11-24-21(25-13-5-3-7-23-10-13)14-9-18(28-19(14)15)17-8-12-4-1-2-6-16(12)27-17/h1-2,4,6,8-9,11,13,23H,3,5,7,10H2,(H2,22,26)(H,24,25)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332132
PNG
((S)-2-(3-aminophenyl)-4-(piperidin-3-ylamino)thien...)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(N)c1
Show InChI InChI=1S/C19H21N5OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9,20H2,(H2,21,25)(H,23,24)/t13-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332134
PNG
((S)-2-(3,4-difluorophenyl)-4-(piperidin-3-ylamino)...)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H18F2N4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/t11-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50332172
PNG
(5-(4-chlorophenyl)-N-cyclohexyl-2-ureidothiophene-...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)NC1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN3O2S/c19-12-8-6-11(7-9-12)15-10-14(17(25-15)22-18(20)24)16(23)21-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H3,20,22,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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