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Compile Data Set for Download or QSAR

Found 3337 hits of ic50 data for polymerid = 1266   
Target
(Institution)
LigandTarget
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
AKT


(Homo sapiens (human))
BDBM182489
PNG
(US9145392, 190)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C24H29BrFN7/c1-16-13-18(3-4-19(16)26)20-14-33(12-11-31-7-2-8-31)23(30-20)17-5-9-32(10-6-17)24-21(25)22(27)28-15-29-24/h3-4,13-15,17H,2,5-12H2,1H3,(H2,27,28,29)
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182480
PNG
(US9145392, 181)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C25H33BrN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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US Patent
n/an/a 0.150n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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Article
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n/an/a 0.160n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50298443
PNG
(5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(c3ccco3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H24N4O3/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-35-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-34-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182699
PNG
(US9145392, 400)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CN(C)C1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C26H34FN7/c1-4-21-24(28)29-16-30-26(21)33-9-7-19(8-10-33)25-31-23(20-5-6-22(27)17(2)11-20)15-34(25)14-18-12-32(3)13-18/h5-6,11,15-16,18-19H,4,7-10,12-14H2,1-3H3,(H2,28,29,30)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM16532
PNG
((2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C23H22N6O/c1-14-20-8-22(27-12-23(20)29-28-14)16-7-18(11-25-9-16)30-13-17(24)6-15-10-26-21-5-3-2-4-19(15)21/h2-5,7-12,17,26H,6,13,24H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM9048
PNG
(US8536193, 10-5)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1
Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-
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US Patent
n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
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US Patent
n/an/a 0.380n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182551
PNG
(US9145392, 252)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H33ClFN7/c1-2-20-24(29)30-17-31-26(20)34-11-7-18(8-12-34)25-32-23(19-5-6-22(28)21(27)15-19)16-35(25)14-13-33-9-3-4-10-33/h5-6,15-18H,2-4,7-14H2,1H3,(H2,29,30,31)
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM187363
PNG
(US9169243, 11)
Show SMILES CNC(=O)C1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C27H30N10O2S/c1-28-25(38)17-6-8-35(9-7-17)22-11-29-19(10-21(22)36-12-20(30-14-36)16-2-3-16)26(39)32-23-13-40-27(33-23)24-34-31-15-37(24)18-4-5-18/h10-18H,2-9H2,1H3,(H,28,38)(H,32,39)
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time...


US Patent US9169243 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
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n/an/a 0.5n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT


(Homo sapiens (human))
BDBM182473
PNG
(US9145392, 174)
Show SMILES CCNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1OC(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F4N7O/c1-4-32-9-12-37-14-21(18-5-6-20(27)19(13-18)26(28,29)30)35-24(37)17-7-10-36(11-8-17)25-22(38-16(2)3)23(31)33-15-34-25/h5-6,13-17,32H,4,7-12H2,1-3H3,(H2,31,33,34)
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US Patent
n/an/a 0.520n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50307954
PNG
(4-((4-Chlorobenzyloxy)methyl)-1-(7H-pyrrolo[2,3-d]...)
Show SMILES NC1(COCc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22ClN5O/c20-15-3-1-14(2-4-15)11-26-12-19(21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
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n/an/a 0.590n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50316183
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT


(Homo sapiens (human))
BDBM16534
PNG
((3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1ccccc1
Show InChI InChI=1S/C27H24N4O2/c28-21(11-18-5-2-1-3-6-18)17-33-23-12-20(15-29-16-23)19-8-9-26-24(13-19)25(27(32)31-26)14-22-7-4-10-30-22/h1-10,12-16,21,30H,11,17,28H2,(H,31,32)/b25-14-/t21-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 0.660n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM8727
PNG
(US8536193, 7-26)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C4NCNN4)n3c2cc1-c1ccccc1
Show InChI InChI=1S/C30H30N8O/c31-29(15-30(39,16-29)21-10-11-21)20-8-6-19(7-9-20)26-22(18-4-2-1-3-5-18)14-24-23(34-26)12-13-25-35-37-28(38(24)25)27-32-17-33-36-27/h1-9,12-14,21,27,32-33,36,39H,10-11,15-17,31H2/t27?,29-,30-
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n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50298445
PNG
(5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin...)
Show SMILES Cc1ccc(o1)C1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C29H26N4O3/c1-17-6-9-27(36-17)28-24-12-18(7-8-26(24)33-29(28)34)19-11-22(15-31-13-19)35-16-21(30)10-20-14-32-25-5-3-2-4-23(20)25/h2-9,11-15,21,28,32H,10,16,30H2,1H3,(H,33,34)/t21-,28?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182688
PNG
(US9145392, 389)
Show SMILES Cc1cc(ccc1F)-c1cn(CCNC2CCCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C27H33FN8/c1-18-14-20(6-7-23(18)28)24-16-36(13-10-31-21-4-2-3-5-21)26(34-24)19-8-11-35(12-9-19)27-22(15-29)25(30)32-17-33-27/h6-7,14,16-17,19,21,31H,2-5,8-13H2,1H3,(H2,30,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182671
PNG
(US9145392, 372)
Show SMILES CC(C)CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F4N8/c1-16(2)13-33-7-10-38-14-22(18-3-4-21(27)20(11-18)26(28,29)30)36-24(38)17-5-8-37(9-6-17)25-19(12-31)23(32)34-15-35-25/h3-4,11,14-17,33H,5-10,13H2,1-2H3,(H2,32,34,35)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM126604
PNG
(US8772283, 48)
Show InChI InChI=1S/C30H27N5O2/c1-29(36)16-30(31,17-29)22-10-7-19(8-11-22)26-27(20-5-3-2-4-6-20)35-18-37-25-12-9-21(24-13-14-32-34-24)15-23(25)28(35)33-26/h2-15,36H,16-18,31H2,1H3,(H,32,34)
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n/an/a 0.800n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182680
PNG
(US9145392, 381)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C27H30F4N8/c28-22-6-5-18(13-21(22)27(29,30)31)23-15-39(12-9-34-19-3-1-2-4-19)25(37-23)17-7-10-38(11-8-17)26-20(14-32)24(33)35-16-36-26/h5-6,13,15-17,19,34H,1-4,7-12H2,(H2,33,35,36)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306097
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C
Show InChI InChI=1S/C29H27N5O2/c1-17-25-12-19(7-8-28(25)34-33-17)26-13-22(15-32-29(26)23-9-10-35-18(23)2)36-16-21(30)11-20-14-31-27-6-4-3-5-24(20)27/h3-10,12-15,21,31H,11,16,30H2,1-2H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182602
PNG
(US9145392, 303)
Show SMILES CCOc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(CC)CC)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H38FN7O/c1-5-33(6-2)14-15-35-17-23(21-8-9-22(28)19(4)16-21)32-26(35)20-10-12-34(13-11-20)27-24(36-7-3)25(29)30-18-31-27/h8-9,16-18,20H,5-7,10-15H2,1-4H3,(H2,29,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306095
PNG
((S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3cc(F)ccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H24FN5O2/c1-16-24-9-17(2-5-26(24)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-27-10-20(29)3-4-23(19)27/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50298451
PNG
((S)-1-(6-ethyl-5-(isoquinolin-6-yl)pyridin-3-yloxy...)
Show SMILES CCc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1
Show InChI InChI=1S/C27H26N4O/c1-2-26-25(19-7-8-20-14-29-10-9-18(20)11-19)13-23(16-31-26)32-17-22(28)12-21-15-30-27-6-4-3-5-24(21)27/h3-11,13-16,22,30H,2,12,17,28H2,1H3/t22-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM187354
PNG
(US9169243, 2)
Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CC(C1)C#N)-n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H22N10OS/c25-6-14-8-32(9-14)20-7-26-17(5-19(20)33-10-18(27-12-33)15-1-2-15)23(35)29-21-11-36-24(30-21)22-31-28-13-34(22)16-3-4-16/h5,7,10-16H,1-4,8-9H2,(H,29,35)
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n/an/a 0.900n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time...


US Patent US9169243 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50298444
PNG
(5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(c3cccs3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H24N4O2S/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-35-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM182624
PNG
(US9145392, 325)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C24H29FN8/c1-16-12-18(4-5-20(16)25)21-14-33(11-10-31(2)3)23(30-21)17-6-8-32(9-7-17)24-19(13-26)22(27)28-15-29-24/h4-5,12,14-15,17H,6-11H2,1-3H3,(H2,27,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)

More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50380939
PNG
(CHEMBL2016893)
Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50327785
PNG
((R)-2-amino-1-(4-(5-chloro-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H20Cl2N6O/c20-13-3-1-12(2-4-13)9-15(22)19(28)27-7-5-26(6-8-27)18-16-14(21)10-23-17(16)24-11-25-18/h1-4,10-11,15H,5-9,22H2,(H,23,24,25)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of AKT1 by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50332316
PNG
((R)-2-amino-3-(4-chlorophenyl)-1-(4-((S)-5-methyl-...)
Show SMILES C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H24ClN5OS/c1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h2-5,12-13,16H,6-11,22H2,1H3/t13-,16+/m0/s1
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Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50332329
PNG
((S)-2-(4-chlorobenzyl)-3-(isopropylamino)-1-(4-((S...)
Show SMILES CC(C)NC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2CS[C@@H](C)c12
Show InChI InChI=1S/C24H32ClN5OS/c1-16(2)26-13-19(12-18-4-6-20(25)7-5-18)24(31)30-10-8-29(9-11-30)23-22-17(3)32-14-21(22)27-15-28-23/h4-7,15-17,19,26H,8-14H2,1-3H3/t17-,19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50322395
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12
Show InChI InChI=1S/C19H20F2N6O/c1-11-7-23-16-15(11)17(26-10-25-16)27-5-4-19(22,9-27)8-24-18(28)13-3-2-12(20)6-14(13)21/h2-3,6-7,10H,4-5,8-9,22H2,1H3,(H,24,28)(H,23,25,26)/t19-/m0/s1
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n/an/a 1n/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


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306165
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306094
PNG
((S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3c(F)cccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306096
PNG
((S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccc(F)cc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-9-17(2-4-27(23)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-26-5-3-20(29)10-24(19)26/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306154
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C
Show InChI InChI=1S/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306156
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306157
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50306158
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C
Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50305879
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50305882
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1
Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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