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Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'médard' and Initial = 'g'   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091288
PNG
(CHEMBL3582227)
Show SMILES Cn1cc(cn1)-c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H26N6/c1-31-17-21(14-29-31)24-12-22-23-11-20(13-28-26(23)30-25(22)15-27-24)19-7-5-18(6-8-19)16-32-9-3-2-4-10-32/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,28,30)
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n/an/a 0.310n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091302
PNG
(CHEMBL3582223)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnco1
Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29)
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n/an/a 0.460n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091309
PNG
(CHEMBL3582216)
Show SMILES CCN1CCc2sc(cc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13?,14?,15?,16?/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091287
PNG
(CHEMBL3582228)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cccnc1
Show InChI InChI=1S/C27H25N5/c1-2-11-32(12-3-1)18-19-6-8-20(9-7-19)22-13-24-23-14-25(21-5-4-10-28-15-21)29-17-26(23)31-27(24)30-16-22/h4-10,13-17H,1-3,11-12,18H2,(H,30,31)
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n/an/a 0.950n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091300
PNG
(CHEMBL3582225)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1nnco1
Show InChI InChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28)
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n/an/a 0.950n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091293
PNG
(CHEMBL3582201)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50299218
PNG
(8-(2-Methoxyphenyl)-1-methyl-7-(2'-methyl-5'-hydro...)
Show SMILES COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C
Show InChI InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)
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n/an/a 1n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091289
PNG
(CHEMBL3582226)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnoc1
Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-22-21-11-23(20-13-28-31-16-20)26-14-24(21)29-25(22)27-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,27,29)
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n/an/a 1.10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 1.30n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

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


(Homo sapiens)
BDBM50091301
PNG
(CHEMBL3582224)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncs1
Show InChI InChI=1S/C25H23N5S/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29)
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n/an/a 1.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50035709
PNG
(CHEMBL3359895)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26)
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n/an/a 1.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091320
PNG
(CHEMBL3582207)
Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 1.90n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091319
PNG
(CHEMBL3582208)
Show SMILES O[C@@H]1CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1
Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5?,6+,7+,8+,9?,10+,11+,12?/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091294
PNG
(CHEMBL3582200)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C22H20N6/c1-27-5-7-28(8-6-27)18-4-2-3-15(9-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-4,9-11,13-14H,5-8H2,1H3,(H,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091292
PNG
(CHEMBL3582202)
Show SMILES C[C@H]1CCC[C@@H](C)N1Cc1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1/C25H25N5/c1-16-4-3-5-17(2)30(16)15-18-6-8-19(9-7-18)20-10-23-22-11-21(12-26)27-14-24(22)29-25(23)28-13-20/h6-11,13-14,16-17H,3-5,15H2,1-2H3,(H,28,29)/t16-,17+
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n/an/a 2.10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091285
PNG
(CHEMBL3582230)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnccn1
Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)20-12-22-21-13-23(25-15-27-8-9-28-25)29-16-24(21)31-26(22)30-14-20/h4-9,12-16H,1-3,10-11,17H2,(H,30,31)
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n/an/a 2.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091311
PNG
(CHEMBL3582215)
Show SMILES CCN1CCc2cc(ccc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15+,16?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091315
PNG
(CHEMBL3582212)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCC3(COC3)CC2)cc1
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15-,16?/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091284
PNG
(CHEMBL3582231)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccnnc1
Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)21-12-23-22-13-24(20-8-9-29-30-15-20)27-16-25(22)31-26(23)28-14-21/h4-9,12-16H,1-3,10-11,17H2,(H,28,31)
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n/an/a 2.90n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209859
PNG
(4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpip...)
Show SMILES CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C3CC3)cc(n2)N2CCN(C)CC2)on1
Show InChI InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50311316
PNG
(CHEMBL1077739 | LDN-211904 | N-(2-chlorophenyl)-6-...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccc(cn12)C1CCNCC1
Show InChI InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
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n/an/a 4.10n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

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


(Homo sapiens)
BDBM50091291
PNG
(CHEMBL3582203)
Show SMILES C[C@H]1C[C@@H](C)CN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1
Show InChI InChI=1/C25H25N5/c1-16-7-17(2)14-30(13-16)15-18-3-5-19(6-4-18)20-8-23-22-9-21(10-26)27-12-24(22)29-25(23)28-11-20/h3-6,8-9,11-12,16-17H,7,13-15H2,1-2H3,(H,28,29)/t16-,17+
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n/an/a 4.20n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091307
PNG
(CHEMBL3582218)
Show SMILES NC(=O)c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H23N5O/c24-22(29)20-11-18-19-10-17(12-26-23(19)27-21(18)13-25-20)16-6-4-15(5-7-16)14-28-8-2-1-3-9-28/h4-7,10-13H,1-3,8-9,14H2,(H2,24,29)(H,26,27)
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n/an/a 4.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091322
PNG
(CHEMBL3582205)
Show SMILES CC1(C)CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Show InChI InChI=1S/C20H33O19P3/c21-9-12-15(18(39-42(30,31)32)20(35-12)33-8-4-7-11-5-2-1-3-6-11)36-19-14(23)17(38-41(27,28)29)16(13(10-22)34-19)37-40(24,25)26/h1-3,5-6,12-23H,4,7-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t12-,13?,14+,15+,16+,17?,18+,19+,20?/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209858
PNG
(Danusertib | N-[5-[(2R)-2-methoxy-2-phenylacetyl]-...)
Show SMILES CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209861
PNG
(5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
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n/an/a 4.80n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

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


(Homo sapiens)
BDBM50091318
PNG
(CHEMBL3582209)
Show SMILES FC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1?,2?,3-,4-,5+,6?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091283
PNG
(CHEMBL3582232)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncnc1
Show InChI InChI=1S/C26H24N6/c1-2-8-32(9-3-1)16-18-4-6-19(7-5-18)20-10-23-22-11-24(21-12-27-17-28-13-21)29-15-25(22)31-26(23)30-14-20/h4-7,10-15,17H,1-3,8-9,16H2,(H,30,31)
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n/an/a 5.10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091314
PNG
(CHEMBL3582213)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)nc1
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13+,14?,15+,16?/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091286
PNG
(CHEMBL3582229)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccncc1
Show InChI InChI=1S/C27H25N5/c1-2-12-32(13-3-1)18-19-4-6-20(7-5-19)22-14-24-23-15-25(21-8-10-28-11-9-21)29-17-26(23)31-27(24)30-16-22/h4-11,14-17H,1-3,12-13,18H2,(H,30,31)
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n/an/a 9.10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091290
PNG
(CHEMBL3582204)
Show SMILES CC1(C)CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1
Show InChI InChI=1S/C25H25N5/c1-25(2)8-3-9-30(16-25)15-17-4-6-18(7-5-17)19-10-22-21-11-20(12-26)27-14-23(21)29-24(22)28-13-19/h4-7,10-11,13-14H,3,8-9,15-16H2,1-2H3,(H,28,29)
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n/an/a 9.40n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091321
PNG
(CHEMBL3582206)
Show SMILES CC(C)(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C34H60O38P6/c35-11-17-23(65-31-21(39)27(69-75(47,48)49)25(19(13-37)61-31)67-73(41,42)43)29(71-77(53,54)55)33(63-17)59-9-1-3-15-5-7-16(8-6-15)4-2-10-60-34-30(72-78(56,57)58)24(18(12-36)64-34)66-32-22(40)28(70-76(50,51)52)26(20(14-38)62-32)68-74(44,45)46/h5-8,17-40H,1-4,9-14H2,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t17-,18-,19?,20?,21+,22+,23+,24+,25+,26+,27?,28?,29+,30+,31+,32+,33?,34?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50091322
PNG
(CHEMBL3582205)
Show SMILES CC1(C)CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Show InChI InChI=1S/C20H33O19P3/c21-9-12-15(18(39-42(30,31)32)20(35-12)33-8-4-7-11-5-2-1-3-6-11)36-19-14(23)17(38-41(27,28)29)16(13(10-22)34-19)37-40(24,25)26/h1-3,5-6,12-23H,4,7-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t12-,13?,14+,15+,16+,17?,18+,19+,20?/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091275
PNG
(CHEMBL3582191)
Show SMILES OCc1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C18H12N4O/c19-7-14-6-15-16-5-13(12-3-1-11(10-23)2-4-12)8-21-18(16)22-17(15)9-20-14/h1-6,8-9,23H,10H2,(H,21,22)
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n/an/a 11n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091317
PNG
(CHEMBL3582210)
Show SMILES N#CC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1
Show InChI InChI=1S/C62H114O76P12/c63-15-27-39(123-55-35(71)47(131-143(87,88)89)43(31(19-67)115-55)127-139(75,76)77)51(135-147(99,100)101)59(119-27)111-9-1-5-23-13-25(7-3-11-113-61-53(137-149(105,106)107)41(29(17-65)121-61)125-57-37(73)49(133-145(93,94)95)45(33(21-69)117-57)129-141(81,82)83)26(8-4-12-114-62-54(138-150(108,109)110)42(30(18-66)122-62)126-58-38(74)50(134-146(96,97)98)46(34(22-70)118-58)130-142(84,85)86)14-24(23)6-2-10-112-60-52(136-148(102,103)104)40(28(16-64)120-60)124-56-36(72)48(132-144(90,91)92)44(32(20-68)116-56)128-140(78,79)80/h13-14,27-74H,1-12,15-22H2,(H2,75,76,77)(H2,78,79,80)(H2,81,82,83)(H2,84,85,86)(H2,87,88,89)(H2,90,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)(H2,102,103,104)(H2,105,106,107)(H2,108,109,110)/t27-,28-,29-,30-,31?,32?,33?,34?,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59?,60?,61?,62?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50100615
PNG
(E-7050 | E7050 | GOLVATINIB | Golvatinib)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1
Show InChI InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
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n/an/a 13n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091316
PNG
(CHEMBL3582211)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13+,14?,15-,16?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091276
PNG
(CHEMBL3582190)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C19H13N5O/c1-11(25)23-14-4-2-3-12(5-14)13-6-17-16-7-15(8-20)21-10-18(16)24-19(17)22-9-13/h2-7,9-10H,1H3,(H,22,24)(H,23,25)
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50091313
PNG
(CHEMBL3582214)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1nc(CN2CCCCC2)cs1
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13+,14?,15?,16?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091298
PNG
(CHEMBL3582196)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ncc[nH]1
Show InChI InChI=1S/C14H8N6/c15-5-9-4-10-11-3-8(13-16-1-2-17-13)6-19-14(11)20-12(10)7-18-9/h1-4,6-7H,(H,16,17)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091273
PNG
(CHEMBL3582193)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccoc1
Show InChI InChI=1S/C15H8N4O/c16-5-11-4-12-13-3-10(9-1-2-20-8-9)6-18-15(13)19-14(12)7-17-11/h1-4,6-8H,(H,18,19)
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n/an/a 17n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM209860
PNG
(4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-...)
Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3ncc(cn3)-c3cncnc3)c2)C1
Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Technical University of Munich



Assay Description
Refer to Reaction Biology Corps.


ACS Chem Biol 11: 3400-3411 (2016)

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


(Homo sapiens)
BDBM50091304
PNG
(CHEMBL3582221)
Show SMILES OCc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H24N4O/c28-15-19-11-20-21-10-18(12-25-23(21)26-22(20)13-24-19)17-6-4-16(5-7-17)14-27-8-2-1-3-9-27/h4-7,10-13,28H,1-3,8-9,14-15H2,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50035709
PNG
(CHEMBL3359895)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50091313
PNG
(CHEMBL3582214)
Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1nc(CN2CCCCC2)cs1
Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13+,14?,15?,16?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay


J Med Chem 58: 5053-74 (2015)

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


(Homo sapiens)
BDBM50091308
PNG
(CHEMBL3582217)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C22H22N4/c1-2-10-26(11-3-1)15-16-4-6-17(7-5-16)18-12-20-19-8-9-23-14-21(19)25-22(20)24-13-18/h4-9,12-14H,1-3,10-11,15H2,(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay


J Med Chem 58: 5053-74 (2015)

More data for this
Ligand-Target Pair
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