Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50009401 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528415
(CHEMBL4457064)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:26.26,wD:1.0,2.2,31.33,(23.87,-52,;23.87,-53.52,;25.19,-54.29,;25.19,-55.81,;26.51,-53.52,;27.84,-54.29,;26.51,-52,;22.55,-54.29,;21.23,-53.52,;22.55,-55.81,;7.85,-50.48,;7.53,-51.98,;6.12,-52.61,;6.28,-54.14,;7.78,-54.46,;8.41,-55.87,;8.56,-53.13,;10.09,-52.98,;11.12,-54.12,;12.52,-53.5,;12.37,-51.97,;10.87,-51.64,;10.24,-50.24,;13.85,-54.28,;13.85,-55.82,;15.19,-53.51,;16.52,-54.28,;16.52,-55.82,;17.85,-56.59,;19.19,-55.83,;19.19,-54.28,;17.86,-53.51,;17.87,-51.98,;16.53,-51.21,;16.53,-49.66,;17.86,-48.89,;17.86,-47.35,;19.2,-49.66,;20.53,-48.88,;19.2,-51.21,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t11-,16+;1-,2-/m01/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 (unknown origin) by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528409
(CHEMBL4441825)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)| Show InChI InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 (unknown origin) by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528409
(CHEMBL4441825)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)| Show InChI InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt2 by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528415
(CHEMBL4457064)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:26.26,wD:1.0,2.2,31.33,(23.87,-52,;23.87,-53.52,;25.19,-54.29,;25.19,-55.81,;26.51,-53.52,;27.84,-54.29,;26.51,-52,;22.55,-54.29,;21.23,-53.52,;22.55,-55.81,;7.85,-50.48,;7.53,-51.98,;6.12,-52.61,;6.28,-54.14,;7.78,-54.46,;8.41,-55.87,;8.56,-53.13,;10.09,-52.98,;11.12,-54.12,;12.52,-53.5,;12.37,-51.97,;10.87,-51.64,;10.24,-50.24,;13.85,-54.28,;13.85,-55.82,;15.19,-53.51,;16.52,-54.28,;16.52,-55.82,;17.85,-56.59,;19.19,-55.83,;19.19,-54.28,;17.86,-53.51,;17.87,-51.98,;16.53,-51.21,;16.53,-49.66,;17.86,-48.89,;17.86,-47.35,;19.2,-49.66,;20.53,-48.88,;19.2,-51.21,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t11-,16+;1-,2-/m01/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt2 by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528409
(CHEMBL4441825)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)| Show InChI InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50170284
(GSK2141795 | GSK2141795C | Uprosertib)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)| Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt2 by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528416
(CHEMBL4440965)Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)| Show InChI InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt2 by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50170284
(GSK2141795 | GSK2141795C | Uprosertib)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)| Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 (unknown origin) by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528416
(CHEMBL4440965)Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)| Show InChI InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528420
(CHEMBL4554668)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NCCO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.31,(36.28,-40.31,;35.95,-41.82,;34.54,-42.44,;34.7,-43.97,;36.21,-44.29,;36.83,-45.7,;36.98,-42.96,;38.51,-42.8,;39.54,-43.95,;40.96,-43.33,;40.79,-41.8,;39.29,-41.47,;38.67,-40.06,;42.29,-44.1,;42.28,-45.64,;43.62,-43.34,;44.96,-44.11,;44.95,-45.64,;46.28,-46.42,;47.62,-45.65,;48.95,-46.43,;50.29,-45.66,;50.29,-44.12,;51.62,-46.44,;52.95,-45.67,;54.28,-46.45,;55.62,-45.68,;47.63,-44.11,;46.29,-43.34,;46.29,-41.81,;44.96,-41.04,;44.96,-39.5,;46.29,-38.72,;46.28,-37.18,;47.62,-39.49,;48.96,-38.71,;47.63,-41.04,)| Show InChI InChI=1S/C24H25Cl4N5O4/c1-33-22(18(27)10-31-33)15-9-20(37-23(15)28)24(36)32-19-11-30-13(8-21(35)29-4-5-34)7-14(19)12-2-3-16(25)17(26)6-12/h2-3,6,9-10,13-14,19,30,34H,4-5,7-8,11H2,1H3,(H,29,35)(H,32,36)/t13-,14-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528416
(CHEMBL4440965)Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)| Show InChI InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 (unknown origin) by mobile shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528431
(CHEMBL4447967)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)=O)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(63.36,-7.24,;63.04,-8.75,;61.63,-9.37,;61.79,-10.9,;63.29,-11.22,;63.92,-12.63,;64.07,-9.89,;65.6,-9.73,;66.63,-10.88,;68.05,-10.26,;67.88,-8.72,;66.38,-8.4,;65.75,-6.99,;69.38,-11.03,;69.37,-12.57,;70.71,-10.26,;72.04,-11.04,;72.04,-12.57,;73.37,-13.35,;74.71,-12.58,;76.04,-13.36,;77.37,-12.59,;78.71,-13.37,;77.38,-11.05,;74.71,-11.04,;73.38,-10.27,;73.38,-8.74,;72.05,-7.97,;72.05,-6.42,;73.38,-5.65,;73.37,-4.11,;74.71,-6.42,;76.04,-5.64,;74.72,-7.97,)| Show InChI InChI=1S/C22H20Cl4N4O4/c1-30-20(16(25)8-28-30)13-7-18(34-21(13)26)22(33)29-17-9-27-11(6-19(31)32)5-12(17)10-2-3-14(23)15(24)4-10/h2-4,7-8,11-12,17,27H,5-6,9H2,1H3,(H,29,33)(H,31,32)/t11-,12-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528426
(CHEMBL4460525)Show SMILES CC(=O)NCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:9.12,6.5,wD:8.30,(53.86,-29.77,;52.53,-29,;52.54,-27.46,;51.2,-29.76,;49.87,-28.99,;48.53,-29.75,;47.2,-28.98,;47.21,-27.43,;45.87,-26.67,;44.54,-27.43,;44.53,-28.97,;45.86,-29.74,;43.2,-26.66,;41.87,-27.43,;41.86,-28.97,;40.54,-26.65,;39.12,-27.27,;38.09,-26.13,;38.87,-24.8,;38.25,-23.39,;40.37,-25.12,;36.56,-26.29,;35.79,-27.62,;36.41,-29.03,;34.28,-27.3,;34.12,-25.76,;35.53,-25.14,;35.86,-23.64,;45.87,-25.13,;44.54,-24.36,;44.54,-22.82,;45.87,-22.05,;45.86,-20.51,;47.2,-22.81,;48.54,-22.04,;47.21,-24.36,)| Show InChI InChI=1S/C24H25Cl2F2N5O3/c1-12(34)29-6-5-14-8-15(13-3-4-18(27)19(28)7-13)20(11-30-14)32-24(35)21-9-16(23(26)36-21)22-17(25)10-31-33(22)2/h3-4,7,9-10,14-15,20,30H,5-6,8,11H2,1-2H3,(H,29,34)(H,32,35)/t14-,15+,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528464
(CHEMBL4552655)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 |r,wU:16.17,21.24,(13.12,-9.28,;12.8,-10.78,;11.39,-11.41,;11.55,-12.94,;13.05,-13.27,;13.67,-14.67,;13.82,-11.93,;15.36,-11.78,;16.38,-12.93,;17.79,-12.3,;17.64,-10.77,;16.13,-10.44,;15.51,-9.04,;19.12,-13.08,;19.11,-14.62,;20.45,-12.31,;21.78,-13.09,;21.78,-14.62,;23.11,-15.39,;24.44,-14.63,;24.45,-13.08,;23.12,-12.31,;23.13,-10.78,;21.79,-10.01,;21.79,-8.47,;23.12,-7.7,;23.12,-6.16,;24.46,-8.46,;25.78,-7.68,;24.46,-10.01,)| Show InChI InChI=1S/C20H18Cl2F2N4O2/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528421
(CHEMBL4451765)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCCO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(51.63,-7.29,;51.3,-8.79,;49.9,-9.41,;50.05,-10.95,;51.56,-11.27,;52.18,-12.68,;52.33,-9.94,;53.87,-9.78,;54.89,-10.93,;56.31,-10.3,;56.15,-8.77,;54.64,-8.45,;54.02,-7.04,;57.64,-11.08,;57.64,-12.62,;58.98,-10.31,;60.31,-11.08,;60.3,-12.62,;61.63,-13.39,;62.97,-12.63,;64.3,-13.4,;65.64,-12.64,;66.97,-13.41,;68.31,-12.65,;62.98,-11.08,;61.65,-10.32,;61.64,-8.79,;60.31,-8.02,;60.31,-6.47,;61.64,-5.7,;61.64,-4.16,;62.98,-6.46,;64.31,-5.69,;62.98,-8.01,)| Show InChI InChI=1S/C23H24Cl4N4O3/c1-31-21(18(26)10-29-31)15-9-20(34-22(15)27)23(33)30-19-11-28-13(3-2-6-32)8-14(19)12-4-5-16(24)17(25)7-12/h4-5,7,9-10,13-14,19,28,32H,2-3,6,8,11H2,1H3,(H,30,33)/t13-,14+,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528429
(CHEMBL4475923)Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:8.11,5.4,wD:7.29,(50.5,-29.31,;49.16,-30.08,;47.83,-29.31,;47.83,-27.77,;46.49,-30.07,;45.16,-29.3,;45.17,-27.75,;43.84,-26.98,;42.5,-27.75,;42.49,-29.29,;43.82,-30.06,;41.17,-26.98,;39.83,-27.74,;39.83,-29.28,;38.5,-26.97,;37.08,-27.59,;36.06,-26.45,;36.83,-25.12,;36.21,-23.71,;38.34,-25.44,;34.52,-26.61,;33.75,-27.94,;34.37,-29.35,;32.24,-27.61,;32.09,-26.08,;33.49,-25.46,;33.82,-23.95,;43.83,-25.45,;42.5,-24.68,;42.5,-23.14,;43.83,-22.37,;43.83,-20.83,;45.17,-23.13,;46.5,-22.36,;45.17,-24.68,)| Show InChI InChI=1S/C23H23Cl4N5O3/c1-28-20(33)7-12-6-13(11-3-4-15(24)16(25)5-11)18(10-29-12)31-23(34)19-8-14(22(27)35-19)21-17(26)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528461
(CHEMBL4517950)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:24.27,(72.74,-6.97,;72.42,-8.47,;71.01,-9.1,;71.17,-10.63,;72.67,-10.95,;73.3,-12.36,;73.45,-9.62,;74.98,-9.46,;76.01,-10.61,;77.43,-9.98,;77.26,-8.45,;75.76,-8.13,;75.13,-6.72,;78.76,-10.76,;78.75,-12.3,;80.09,-9.99,;81.42,-10.77,;81.42,-12.3,;82.75,-13.08,;84.09,-12.31,;85.42,-13.08,;86.76,-12.32,;88.09,-13.09,;84.1,-10.76,;82.76,-10,;82.76,-8.47,;81.43,-7.7,;81.43,-6.15,;82.76,-5.38,;82.75,-3.84,;84.09,-6.15,;85.42,-5.37,;84.1,-7.7,)| Show InChI InChI=1S/C22H22Cl4N4O3/c1-30-20(17(25)9-28-30)14-8-19(33-21(14)26)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-15(23)16(24)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528417
(CHEMBL4445510)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,wD:21.24,(6.56,-7.47,;6.24,-8.98,;4.83,-9.6,;4.99,-11.13,;6.49,-11.45,;7.12,-12.86,;7.27,-10.12,;8.8,-9.97,;9.83,-11.12,;11.23,-10.49,;11.08,-8.96,;9.57,-8.64,;8.95,-7.23,;12.56,-11.27,;12.56,-12.81,;13.9,-10.5,;15.23,-11.27,;15.23,-12.81,;16.56,-13.59,;17.89,-12.82,;17.9,-11.27,;16.57,-10.51,;16.57,-8.97,;15.24,-8.2,;15.24,-6.66,;16.57,-5.89,;16.57,-4.35,;17.91,-6.65,;19.24,-5.88,;17.91,-8.2,)| Show InChI InChI=1S/C20H18Cl4N4O2/c1-28-18(15(23)8-26-28)12-7-17(30-19(12)24)20(29)27-16-9-25-5-4-11(16)10-2-3-13(21)14(22)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528415
(CHEMBL4457064)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:26.26,wD:1.0,2.2,31.33,(23.87,-52,;23.87,-53.52,;25.19,-54.29,;25.19,-55.81,;26.51,-53.52,;27.84,-54.29,;26.51,-52,;22.55,-54.29,;21.23,-53.52,;22.55,-55.81,;7.85,-50.48,;7.53,-51.98,;6.12,-52.61,;6.28,-54.14,;7.78,-54.46,;8.41,-55.87,;8.56,-53.13,;10.09,-52.98,;11.12,-54.12,;12.52,-53.5,;12.37,-51.97,;10.87,-51.64,;10.24,-50.24,;13.85,-54.28,;13.85,-55.82,;15.19,-53.51,;16.52,-54.28,;16.52,-55.82,;17.85,-56.59,;19.19,-55.83,;19.19,-54.28,;17.86,-53.51,;17.87,-51.98,;16.53,-51.21,;16.53,-49.66,;17.86,-48.89,;17.86,-47.35,;19.2,-49.66,;20.53,-48.88,;19.2,-51.21,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t11-,16+;1-,2-/m01/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528482
(CHEMBL4593086)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NCC(O)CO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:30.33,(62.66,-40.72,;62.33,-42.23,;60.93,-42.85,;61.08,-44.38,;62.59,-44.71,;63.21,-46.12,;63.36,-43.38,;64.9,-43.22,;65.92,-44.36,;67.34,-43.74,;67.18,-42.21,;65.67,-41.88,;65.05,-40.48,;68.67,-44.51,;68.67,-46.05,;70.01,-43.75,;71.34,-44.52,;71.33,-46.05,;72.66,-46.83,;74,-46.06,;75.33,-46.84,;76.67,-46.07,;76.67,-44.53,;78,-46.85,;79.34,-46.08,;80.67,-46.86,;80.66,-48.4,;82,-46.09,;83.33,-46.87,;74.01,-44.52,;72.68,-43.75,;72.67,-42.22,;71.34,-41.45,;71.34,-39.91,;72.67,-39.14,;72.67,-37.6,;74.01,-39.9,;75.34,-39.13,;74.01,-41.45,)| Show InChI InChI=1S/C25H27Cl4N5O5/c1-34-23(19(28)9-32-34)16-7-21(39-24(16)29)25(38)33-20-10-30-13(6-22(37)31-8-14(36)11-35)5-15(20)12-2-3-17(26)18(27)4-12/h2-4,7,9,13-15,20,30,35-36H,5-6,8,10-11H2,1H3,(H,31,37)(H,33,38)/t13-,14?,15-,20+/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528430
(CHEMBL4438877)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(N)=O)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(8.94,-24.9,;8.62,-26.4,;7.21,-27.02,;7.37,-28.56,;8.87,-28.88,;9.5,-30.29,;9.65,-27.55,;11.18,-27.39,;12.21,-28.53,;13.63,-27.91,;13.46,-26.38,;11.96,-26.06,;11.33,-24.65,;14.96,-28.69,;14.95,-30.23,;16.29,-27.92,;17.62,-28.69,;17.62,-30.23,;18.95,-31,;20.29,-30.24,;21.62,-31.01,;22.96,-30.25,;24.29,-31.02,;22.96,-28.71,;20.3,-28.69,;18.96,-27.93,;18.96,-26.39,;17.63,-25.62,;17.63,-24.08,;18.96,-23.31,;18.95,-21.77,;20.29,-24.07,;21.62,-23.3,;20.3,-25.62,)| Show InChI InChI=1S/C22H21Cl4N5O3/c1-31-20(16(25)8-29-31)13-7-18(34-21(13)26)22(33)30-17-9-28-11(6-19(27)32)5-12(17)10-2-3-14(23)15(24)4-10/h2-4,7-8,11-12,17,28H,5-6,9H2,1H3,(H2,27,32)(H,30,33)/t11-,12-,17+/m0/s1 | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528427
(CHEMBL4441416)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCNS(C)(=O)=O)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:28.31,(6.19,-22.87,;5.87,-24.37,;4.46,-24.99,;4.62,-26.53,;6.12,-26.85,;6.74,-28.26,;6.89,-25.52,;8.43,-25.36,;9.46,-26.5,;10.87,-25.88,;10.71,-24.35,;9.2,-24.03,;8.58,-22.62,;12.2,-26.66,;12.2,-28.2,;13.54,-25.89,;14.87,-26.66,;14.87,-28.2,;16.2,-28.97,;17.53,-28.21,;18.87,-28.98,;20.2,-28.22,;21.53,-28.99,;22.87,-28.23,;24.2,-29,;22.09,-26.89,;23.64,-26.88,;17.54,-26.66,;16.21,-25.9,;16.21,-24.36,;14.87,-23.59,;14.88,-22.05,;16.2,-21.28,;16.2,-19.74,;17.54,-22.04,;18.87,-21.27,;17.55,-23.59,)| Show InChI InChI=1S/C23H25Cl2F2N5O4S/c1-32-21(16(24)10-29-32)15-9-20(36-22(15)25)23(33)31-19-11-28-13(5-6-30-37(2,34)35)8-14(19)12-3-4-17(26)18(27)7-12/h3-4,7,9-10,13-14,19,28,30H,5-6,8,11H2,1-2H3,(H,31,33)/t13-,14+,19-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528428
(CHEMBL4567295)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)CO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:26.29,(33.44,-6.73,;33.11,-8.23,;31.7,-8.85,;31.86,-10.39,;33.37,-10.71,;33.99,-12.12,;34.14,-9.38,;35.68,-9.22,;36.7,-10.37,;38.12,-9.74,;37.95,-8.21,;36.45,-7.89,;35.83,-6.48,;39.45,-10.52,;39.45,-12.06,;40.79,-9.75,;42.12,-10.52,;42.11,-12.06,;43.44,-12.83,;44.78,-12.07,;46.11,-12.84,;47.45,-12.08,;47.45,-10.54,;48.78,-12.85,;50.11,-12.09,;44.79,-10.52,;43.45,-9.76,;43.45,-8.23,;42.12,-7.46,;42.12,-5.91,;43.45,-5.14,;43.45,-3.6,;44.79,-5.9,;46.12,-5.13,;44.79,-7.45,)| Show InChI InChI=1S/C23H24Cl2F2N4O4/c1-31-21(16(24)8-29-31)15-7-20(35-22(15)25)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-17(26)18(27)4-11/h2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34)/t12-,13?,14+,19-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528468
(CHEMBL4590906)Show SMILES CN(C)CC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:8.11,5.4,wD:7.29,(76.96,-26.16,;75.63,-26.92,;75.62,-28.46,;74.3,-26.15,;72.96,-26.91,;71.63,-26.14,;71.64,-24.59,;70.3,-23.83,;68.97,-24.59,;68.96,-26.13,;70.29,-26.9,;67.63,-23.82,;66.3,-24.59,;66.29,-26.13,;64.97,-23.81,;63.55,-24.44,;62.52,-23.29,;63.3,-21.96,;62.67,-20.55,;64.8,-22.28,;60.99,-23.45,;60.21,-24.78,;60.84,-26.19,;58.71,-24.46,;58.55,-22.92,;59.96,-22.3,;60.28,-20.8,;70.3,-22.3,;68.97,-21.53,;68.97,-19.98,;70.3,-19.21,;70.29,-17.67,;71.63,-19.97,;72.96,-19.2,;71.64,-21.52,)| Show InChI InChI=1S/C24H27Cl4N5O2/c1-32(2)7-6-14-9-15(13-4-5-17(25)18(26)8-13)20(12-29-14)31-24(34)21-10-16(23(28)35-21)22-19(27)11-30-33(22)3/h4-5,8,10-11,14-15,20,29H,6-7,9,12H2,1-3H3,(H,31,34)/t14-,15+,20-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528419
(CHEMBL4531735)Show SMILES CC(=O)OCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:9.12,6.5,wD:8.30,(80.83,-29.2,;79.5,-28.42,;79.51,-26.88,;78.16,-29.19,;76.83,-28.41,;75.5,-29.18,;74.16,-28.4,;74.17,-26.86,;72.84,-26.09,;71.5,-26.86,;71.5,-28.39,;72.83,-29.17,;70.17,-26.08,;68.83,-26.85,;68.83,-28.39,;67.5,-26.08,;66.09,-26.7,;65.06,-25.55,;65.83,-24.22,;65.21,-22.81,;67.34,-24.55,;63.52,-25.71,;62.75,-27.04,;63.37,-28.45,;61.25,-26.72,;61.09,-25.19,;62.5,-24.57,;62.82,-23.06,;72.84,-24.56,;71.5,-23.79,;71.51,-22.24,;72.83,-21.47,;72.83,-19.93,;74.17,-22.24,;75.5,-21.46,;74.18,-23.79,)| Show InChI InChI=1S/C24H24Cl2F2N4O4/c1-12(33)35-6-5-14-8-15(13-3-4-18(27)19(28)7-13)20(11-29-14)31-24(34)21-9-16(23(26)36-21)22-17(25)10-30-32(22)2/h3-4,7,9-10,14-15,20,29H,5-6,8,11H2,1-2H3,(H,31,34)/t14-,15+,20-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528435
(CHEMBL4470606)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)CO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:26.29,(6.28,-22.36,;5.95,-23.87,;4.54,-24.49,;4.7,-26.02,;6.21,-26.34,;6.83,-27.75,;6.98,-25.01,;8.52,-24.85,;9.54,-26,;10.96,-25.38,;10.79,-23.85,;9.29,-23.52,;8.67,-22.11,;12.29,-26.15,;12.29,-27.69,;13.63,-25.38,;14.96,-26.16,;14.95,-27.69,;16.28,-28.47,;17.62,-27.7,;18.95,-28.48,;20.29,-27.71,;20.29,-26.17,;21.62,-28.49,;22.96,-27.72,;17.63,-26.16,;16.29,-25.39,;16.29,-23.86,;14.96,-23.09,;14.96,-21.54,;16.29,-20.77,;16.29,-19.23,;17.63,-21.54,;18.96,-20.76,;17.63,-23.09,)| Show InChI InChI=1S/C23H24Cl4N4O4/c1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)4-11/h2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34)/t12-,13?,14+,19-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528410
(CHEMBL4589576)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NC2CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.32,(60.53,-24.37,;60.21,-25.88,;58.8,-26.5,;58.96,-28.03,;60.46,-28.36,;61.09,-29.77,;61.24,-27.03,;62.77,-26.87,;63.8,-28.01,;65.22,-27.39,;65.05,-25.86,;63.55,-25.54,;62.92,-24.13,;66.55,-28.17,;66.54,-29.7,;67.88,-27.4,;69.22,-28.17,;69.21,-29.71,;70.54,-30.48,;71.88,-29.72,;73.21,-30.49,;74.55,-29.73,;74.55,-28.19,;75.88,-30.5,;77.21,-29.74,;78.75,-29.74,;77.98,-28.4,;71.89,-28.17,;70.55,-27.4,;70.55,-25.87,;69.22,-25.1,;69.22,-23.56,;70.55,-22.79,;70.54,-21.25,;71.88,-23.55,;73.21,-22.78,;71.89,-25.1,)| Show InChI InChI=1S/C25H25Cl4N5O3/c1-34-23(19(28)10-31-34)16-9-21(37-24(16)29)25(36)33-20-11-30-14(8-22(35)32-13-3-4-13)7-15(20)12-2-5-17(26)18(27)6-12/h2,5-6,9-10,13-15,20,30H,3-4,7-8,11H2,1H3,(H,32,35)(H,33,36)/t14-,15-,20+/m0/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528467
(CHEMBL4519793)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCn2cncn2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.32,(35.98,-7.3,;35.66,-8.81,;34.25,-9.43,;34.4,-10.96,;35.91,-11.29,;36.53,-12.69,;36.68,-9.95,;38.22,-9.79,;39.25,-10.94,;40.66,-10.32,;40.5,-8.79,;38.99,-8.46,;38.37,-7.05,;41.99,-11.09,;41.99,-12.63,;43.33,-10.33,;44.66,-11.1,;44.66,-12.63,;45.99,-13.41,;47.32,-12.64,;48.65,-13.42,;49.99,-12.65,;51.32,-13.43,;51.48,-14.95,;52.99,-15.28,;53.76,-13.95,;52.73,-12.8,;47.33,-11.1,;46,-10.33,;46,-8.8,;44.66,-8.03,;44.66,-6.49,;45.99,-5.72,;45.99,-4.18,;47.33,-6.48,;48.66,-5.7,;47.33,-8.03,)| Show InChI InChI=1S/C24H23Cl4N7O2/c1-34-22(19(27)9-31-34)16-8-21(37-23(16)28)24(36)33-20-10-30-14(4-5-35-12-29-11-32-35)7-15(20)13-2-3-17(25)18(26)6-13/h2-3,6,8-9,11-12,14-15,20,30H,4-5,7,10H2,1H3,(H,33,36)/t14-,15+,20-/m1/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50170284
(GSK2141795 | GSK2141795C | Uprosertib)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)| Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 | PDB
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| Article
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528412
(CHEMBL4529738)Show SMILES Cn1ncc(Cl)c1-c1coc(c1)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H19ClF2N4O2/c1-27-19(14(21)8-25-27)12-7-18(29-10-12)20(28)26-17-9-24-5-4-13(17)11-2-3-15(22)16(23)6-11/h2-3,6-8,10,13,17,24H,4-5,9H2,1H3,(H,26,28)/t13-,17+/m0/s1 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528433
(CHEMBL4524940)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCCCC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:29.33,(32.6,-37.45,;32.28,-38.96,;30.87,-39.58,;31.03,-41.12,;32.53,-41.44,;33.16,-42.85,;33.31,-40.11,;34.84,-39.95,;35.87,-41.09,;37.28,-40.47,;37.12,-38.94,;35.62,-38.62,;34.99,-37.21,;38.62,-41.25,;38.61,-42.79,;39.95,-40.48,;41.28,-41.25,;41.28,-42.79,;42.61,-43.56,;43.95,-42.8,;45.28,-43.57,;46.61,-42.81,;47.94,-43.58,;47.93,-45.12,;49.25,-45.89,;50.59,-45.13,;50.6,-43.59,;49.27,-42.81,;43.95,-41.25,;42.62,-40.49,;42.62,-38.95,;41.29,-38.18,;41.29,-36.64,;42.62,-35.87,;42.61,-34.33,;43.95,-36.63,;45.28,-35.86,;43.96,-38.18,)| Show InChI InChI=1S/C27H31Cl4N5O2/c1-35-25(22(30)14-33-35)19-13-24(38-26(19)31)27(37)34-23-15-32-17(7-10-36-8-3-2-4-9-36)12-18(23)16-5-6-20(28)21(29)11-16/h5-6,11,13-14,17-18,23,32H,2-4,7-10,12,15H2,1H3,(H,34,37)/t17-,18+,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528432
(CHEMBL4518523)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCC(O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:30.34,(8.31,-7.58,;7.99,-9.09,;6.58,-9.71,;6.74,-11.24,;8.24,-11.57,;8.87,-12.97,;9.02,-10.23,;10.55,-10.07,;11.58,-11.22,;13,-10.6,;12.83,-9.07,;11.33,-8.74,;10.7,-7.33,;14.33,-11.37,;14.32,-12.91,;15.66,-10.61,;16.99,-11.38,;16.99,-12.91,;18.32,-13.69,;19.66,-12.92,;20.99,-13.7,;22.32,-12.93,;23.66,-13.71,;23.64,-15.25,;24.96,-16.02,;26.31,-15.26,;27.63,-16.04,;26.31,-13.72,;24.98,-12.94,;19.66,-11.38,;18.33,-10.61,;18.33,-9.08,;17,-8.31,;17,-6.77,;18.33,-6,;18.32,-4.46,;19.66,-6.76,;20.99,-5.98,;19.67,-8.31,)| Show InChI InChI=1S/C27H31Cl4N5O3/c1-35-25(22(30)13-33-35)19-12-24(39-26(19)31)27(38)34-23-14-32-16(4-7-36-8-5-17(37)6-9-36)11-18(23)15-2-3-20(28)21(29)10-15/h2-3,10,12-13,16-18,23,32,37H,4-9,11,14H2,1H3,(H,34,38)/t16-,18+,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528434
(CHEMBL4546392)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCCC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.32,(7.84,-37.33,;7.52,-38.84,;6.11,-39.46,;6.26,-40.99,;7.77,-41.32,;8.39,-42.72,;8.54,-39.98,;10.08,-39.82,;11.11,-40.97,;12.52,-40.35,;12.36,-38.82,;10.85,-38.49,;10.23,-37.08,;13.85,-41.12,;13.85,-42.66,;15.19,-40.36,;16.52,-41.13,;16.52,-42.66,;17.85,-43.44,;19.18,-42.67,;20.51,-43.45,;21.85,-42.68,;23.18,-43.46,;23.34,-44.98,;24.85,-45.31,;25.62,-43.98,;24.59,-42.83,;19.19,-41.13,;17.86,-40.36,;17.86,-38.83,;16.52,-38.06,;16.52,-36.52,;17.85,-35.75,;17.85,-34.21,;19.19,-36.51,;20.52,-35.73,;19.19,-38.06,)| Show InChI InChI=1S/C26H29Cl4N5O2/c1-34-24(21(29)13-32-34)18-12-23(37-25(18)30)26(36)33-22-14-31-16(6-9-35-7-2-3-8-35)11-17(22)15-4-5-19(27)20(28)10-15/h4-5,10,12-13,16-17,22,31H,2-3,6-9,11,14H2,1H3,(H,33,36)/t16-,17+,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528458
(CHEMBL4465572)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(F)c(F)c1 |r,wD:1.0,2.2,(45.48,-28.24,;45.48,-26.7,;44.14,-25.93,;44.14,-24.39,;42.8,-26.7,;41.47,-25.93,;42.8,-28.24,;46.81,-25.93,;48.14,-26.7,;46.81,-24.39,;28.5,-19.99,;28.18,-21.5,;26.77,-22.12,;26.93,-23.65,;28.43,-23.98,;29.05,-25.38,;29.21,-22.64,;30.74,-22.49,;31.77,-23.64,;33.17,-23.01,;33.02,-21.48,;31.51,-21.16,;30.89,-19.75,;34.5,-23.79,;34.5,-25.33,;35.84,-23.02,;37.17,-23.8,;37.16,-25.33,;38.49,-26.11,;39.83,-25.34,;39.84,-23.79,;38.51,-23.03,;38.51,-21.49,;37.18,-20.72,;37.18,-19.18,;38.51,-18.41,;38.5,-16.87,;39.84,-19.17,;41.17,-18.4,;39.85,-20.72,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528413
(CHEMBL4568343)Show SMILES COCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:7.10,4.3,wD:6.28,(49.19,-26.41,;47.85,-27.18,;46.52,-26.4,;45.19,-27.17,;43.85,-26.39,;43.86,-24.85,;42.53,-24.08,;41.19,-24.85,;41.19,-26.38,;42.52,-27.16,;39.86,-24.08,;38.52,-24.84,;38.52,-26.38,;37.19,-24.07,;35.78,-24.69,;34.75,-23.55,;35.52,-22.21,;34.9,-20.81,;37.03,-22.54,;33.21,-23.71,;32.44,-25.04,;33.06,-26.45,;30.94,-24.71,;30.78,-23.18,;32.19,-22.56,;32.51,-21.05,;42.53,-22.55,;41.19,-21.78,;41.2,-20.24,;42.52,-19.47,;42.52,-17.93,;43.86,-20.23,;45.19,-19.46,;43.87,-21.78,)| Show InChI InChI=1S/C23H24Cl4N4O3/c1-31-21(18(26)10-29-31)15-9-20(34-22(15)27)23(32)30-19-11-28-13(5-6-33-2)8-14(19)12-3-4-16(24)17(25)7-12/h3-4,7,9-10,13-14,19,28H,5-6,8,11H2,1-2H3,(H,30,32)/t13-,14+,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50528415
(CHEMBL4457064)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:26.26,wD:1.0,2.2,31.33,(23.87,-52,;23.87,-53.52,;25.19,-54.29,;25.19,-55.81,;26.51,-53.52,;27.84,-54.29,;26.51,-52,;22.55,-54.29,;21.23,-53.52,;22.55,-55.81,;7.85,-50.48,;7.53,-51.98,;6.12,-52.61,;6.28,-54.14,;7.78,-54.46,;8.41,-55.87,;8.56,-53.13,;10.09,-52.98,;11.12,-54.12,;12.52,-53.5,;12.37,-51.97,;10.87,-51.64,;10.24,-50.24,;13.85,-54.28,;13.85,-55.82,;15.19,-53.51,;16.52,-54.28,;16.52,-55.82,;17.85,-56.59,;19.19,-55.83,;19.19,-54.28,;17.86,-53.51,;17.87,-51.98,;16.53,-51.21,;16.53,-49.66,;17.86,-48.89,;17.86,-47.35,;19.2,-49.66,;20.53,-48.88,;19.2,-51.21,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t11-,16+;1-,2-/m01/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human P70S6K by mobility shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50528409
(CHEMBL4441825)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)| Show InChI InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human P70S6K by mobility shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528418
(CHEMBL4536780)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(cc1)C(F)(F)F |r,wD:1.0,2.2,(24.81,-27.16,;24.81,-25.63,;23.48,-24.86,;23.48,-23.34,;22.16,-25.63,;20.84,-24.86,;22.16,-27.16,;26.13,-24.86,;27.45,-25.63,;26.13,-23.34,;7.44,-20.36,;7.12,-21.87,;5.71,-22.49,;5.87,-24.02,;7.37,-24.34,;8,-25.75,;8.15,-23.01,;9.68,-22.86,;10.71,-24.01,;12.11,-23.38,;11.96,-21.85,;10.45,-21.53,;9.83,-20.12,;13.44,-24.16,;13.44,-25.7,;14.78,-23.39,;16.11,-24.16,;16.11,-25.7,;17.44,-26.48,;18.77,-25.71,;18.78,-24.16,;17.45,-23.4,;17.45,-21.86,;16.12,-21.09,;16.12,-19.55,;17.45,-18.78,;18.79,-19.54,;18.79,-21.09,;17.45,-17.24,;18.78,-16.46,;16.11,-16.47,;17.43,-15.69,)| Show InChI InChI=1S/C21H19Cl2F3N4O2.C4H6O6/c1-30-18(15(22)9-28-30)14-8-17(32-19(14)23)20(31)29-16-10-27-7-6-13(16)11-2-4-12(5-3-11)21(24,25)26;5-1(3(7)8)2(6)4(9)10/h2-5,8-9,13,16,27H,6-7,10H2,1H3,(H,29,31);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528476
(CHEMBL4585120)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1cccc(c1)C(F)(F)F |r,wU:16.17,wD:21.24,(26.53,-8.06,;26.2,-9.57,;24.8,-10.19,;24.95,-11.72,;26.46,-12.05,;27.08,-13.45,;27.23,-10.71,;28.77,-10.56,;29.79,-11.71,;31.2,-11.09,;31.05,-9.55,;29.54,-9.23,;28.92,-7.82,;32.53,-11.86,;32.52,-13.4,;33.86,-11.09,;35.19,-11.87,;35.19,-13.4,;36.52,-14.18,;37.86,-13.41,;37.87,-11.86,;36.53,-11.1,;36.54,-9.56,;35.2,-8.79,;35.21,-7.25,;36.54,-6.48,;37.87,-7.24,;37.88,-8.79,;39.2,-6.47,;40.54,-7.23,;39.2,-4.93,;40.53,-5.69,)| Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-30-18(15(22)9-28-30)14-8-17(32-19(14)23)20(31)29-16-10-27-6-5-13(16)11-3-2-4-12(7-11)21(24,25)26/h2-4,7-9,13,16,27H,5-6,10H2,1H3,(H,29,31)/t13-,16+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528466
(CHEMBL4447158)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NC2CCC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:29.33,(8.88,-41.02,;8.56,-42.52,;7.15,-43.15,;7.31,-44.68,;8.81,-45,;9.44,-46.41,;9.59,-43.67,;11.12,-43.51,;12.15,-44.66,;13.56,-44.04,;13.4,-42.5,;11.89,-42.18,;11.27,-40.77,;14.9,-44.81,;14.89,-46.35,;16.23,-44.04,;17.56,-44.82,;17.56,-46.35,;18.89,-47.13,;20.23,-46.36,;21.56,-47.13,;22.89,-46.37,;22.9,-44.83,;24.22,-47.14,;25.56,-46.38,;27.05,-46.79,;27.45,-45.3,;25.96,-44.9,;20.23,-44.81,;18.9,-44.05,;18.9,-42.52,;17.57,-41.75,;17.57,-40.2,;18.9,-39.43,;18.89,-37.89,;20.23,-40.2,;21.56,-39.42,;20.24,-41.75,)| Show InChI InChI=1S/C26H27Cl4N5O3/c1-35-24(20(29)11-32-35)17-10-22(38-25(17)30)26(37)34-21-12-31-15(9-23(36)33-14-3-2-4-14)8-16(21)13-5-6-18(27)19(28)7-13/h5-7,10-11,14-16,21,31H,2-4,8-9,12H2,1H3,(H,33,36)(H,34,37)/t15-,16-,21+/m0/s1 | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528479
(CHEMBL4450403)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCN2CCOCC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:29.33,(61.2,-37.04,;60.88,-38.54,;59.47,-39.16,;59.63,-40.7,;61.13,-41.02,;61.76,-42.43,;61.91,-39.69,;63.44,-39.53,;64.47,-40.68,;65.88,-40.05,;65.72,-38.52,;64.22,-38.2,;63.59,-36.79,;67.22,-40.83,;67.21,-42.37,;68.55,-40.06,;69.88,-40.83,;69.88,-42.37,;71.21,-43.14,;72.55,-42.38,;73.88,-43.15,;75.21,-42.39,;76.54,-43.16,;76.53,-44.7,;77.85,-45.47,;79.19,-44.72,;79.2,-43.17,;77.87,-42.39,;72.55,-40.83,;71.22,-40.07,;71.22,-38.54,;69.89,-37.77,;69.89,-36.22,;71.22,-35.45,;71.21,-33.91,;72.55,-36.21,;73.88,-35.44,;72.56,-37.76,)| Show InChI InChI=1S/C26H29Cl4N5O3/c1-34-24(21(29)13-32-34)18-12-23(38-25(18)30)26(36)33-22-14-31-16(4-5-35-6-8-37-9-7-35)11-17(22)15-2-3-19(27)20(28)10-15/h2-3,10,12-13,16-17,22,31H,4-9,11,14H2,1H3,(H,33,36)/t16-,17+,22-/m1/s1 | PDB
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| Article
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| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50528416
(CHEMBL4440965)Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)| Show InChI InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human P70S6K by mobility shift assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528425
(CHEMBL4591854)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(cc1)C(F)(F)F |r,wU:26.26,wD:1.0,2.2,31.33,(70.18,-38.02,;70.18,-39.55,;71.5,-40.31,;71.5,-41.84,;72.82,-39.55,;74.14,-40.31,;72.82,-38.02,;68.86,-40.31,;67.54,-39.55,;68.86,-41.84,;53.11,-37.38,;52.78,-38.88,;51.37,-39.51,;51.53,-41.04,;53.04,-41.36,;53.66,-42.77,;53.81,-40.03,;55.34,-39.87,;56.37,-41.02,;57.77,-40.4,;57.62,-38.87,;56.12,-38.54,;55.49,-37.13,;59.11,-41.17,;59.1,-42.71,;60.44,-40.41,;61.77,-41.18,;61.77,-42.71,;63.1,-43.49,;64.44,-42.72,;64.44,-41.18,;63.11,-40.41,;63.12,-38.88,;61.78,-38.11,;61.78,-36.56,;63.11,-35.79,;64.45,-36.56,;64.45,-38.11,;63.11,-34.25,;64.44,-33.48,;61.77,-33.49,;63.09,-32.71,)| Show InChI InChI=1S/C21H19Cl2F3N4O2.C4H6O6/c1-30-18(15(22)9-28-30)14-8-17(32-19(14)23)20(31)29-16-10-27-7-6-13(16)11-2-4-12(5-3-11)21(24,25)26;5-1(3(7)8)2(6)4(9)10/h2-5,8-9,13,16,27H,6-7,10H2,1H3,(H,29,31);1-2,5-6H,(H,7,8)(H,9,10)/t13-,16+;1-,2-/m01/s1 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528469
(CHEMBL4467439)Show SMILES CCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:6.9,3.2,wD:5.27,(21.58,-13.12,;20.25,-12.34,;18.91,-13.11,;17.58,-12.33,;17.59,-10.79,;16.26,-10.02,;14.92,-10.79,;14.91,-12.32,;16.24,-13.1,;13.59,-10.02,;12.25,-10.78,;12.25,-12.32,;10.92,-10.01,;9.5,-10.63,;8.48,-9.48,;9.25,-8.15,;8.63,-6.74,;10.76,-8.48,;6.94,-9.64,;6.17,-10.97,;6.79,-12.38,;4.66,-10.65,;4.51,-9.12,;5.91,-8.5,;6.24,-6.99,;16.25,-8.49,;14.92,-7.72,;14.92,-6.18,;16.25,-5.4,;16.25,-3.86,;17.59,-6.17,;18.92,-5.39,;17.59,-7.72,)| Show InChI InChI=1S/C23H24Cl4N4O2/c1-3-4-13-8-14(12-5-6-16(24)17(25)7-12)19(11-28-13)30-23(32)20-9-15(22(27)33-20)21-18(26)10-29-31(21)2/h5-7,9-10,13-14,19,28H,3-4,8,11H2,1-2H3,(H,30,32)/t13-,14+,19-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528436
(CHEMBL4449509)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC=C)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:24.27,(28.2,-6.77,;27.88,-8.27,;26.47,-8.89,;26.63,-10.43,;28.13,-10.75,;28.75,-12.16,;28.91,-9.42,;30.44,-9.26,;31.47,-10.41,;32.88,-9.78,;32.72,-8.25,;31.21,-7.93,;30.59,-6.52,;34.22,-10.56,;34.21,-12.1,;35.55,-9.79,;36.88,-10.56,;36.88,-12.1,;38.21,-12.87,;39.55,-12.11,;40.88,-12.88,;42.21,-12.12,;43.54,-12.89,;39.55,-10.56,;38.22,-9.8,;38.22,-8.26,;36.88,-7.49,;36.89,-5.95,;38.22,-5.18,;38.21,-3.64,;39.55,-5.94,;40.88,-5.17,;39.56,-7.49,)| Show InChI InChI=1S/C23H22Cl4N4O2/c1-3-4-13-8-14(12-5-6-16(24)17(25)7-12)19(11-28-13)30-23(32)20-9-15(22(27)33-20)21-18(26)10-29-31(21)2/h3,5-7,9-10,13-14,19,28H,1,4,8,11H2,2H3,(H,30,32)/t13-,14+,19-/m1/s1 | PDB
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| PC cid
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528474
(CHEMBL4450141)Show SMILES Cn1ncc(Cl)c1-c1ccc(o1)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H20Cl2N4O2/c1-26-19(15(22)10-24-26)17-6-7-18(28-17)20(27)25-16-11-23-9-8-14(16)12-2-4-13(21)5-3-12/h2-7,10,14,16,23H,8-9,11H2,1H3,(H,25,27)/t14-,16+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50528409
(CHEMBL4441825)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)| Show InChI InChI=1S/C22H22Cl2F2N4O3/c1-30-20(15(23)9-28-30)14-8-19(33-21(14)24)22(32)29-18-10-27-12(4-5-31)7-13(18)11-2-3-16(25)17(26)6-11/h2-3,6,8-9,12-13,18,27,31H,4-5,7,10H2,1H3,(H,29,32)/t12-,13+,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PKC (unknown origin) |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528481
(CHEMBL4443488)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(Cl)cc1 |r,wD:1.0,2.2,(86.62,-13.81,;86.62,-12.27,;85.28,-11.5,;85.28,-9.96,;83.95,-12.27,;82.62,-11.5,;83.95,-13.81,;87.95,-11.5,;89.29,-12.27,;87.95,-9.96,;70.57,-5.57,;70.24,-7.08,;68.83,-7.7,;68.99,-9.23,;70.5,-9.56,;71.12,-10.97,;71.27,-8.23,;72.8,-8.07,;73.83,-9.22,;75.23,-8.6,;75.08,-7.06,;73.58,-6.74,;72.95,-5.33,;76.56,-9.37,;76.56,-10.91,;77.9,-8.6,;79.23,-9.38,;79.23,-10.91,;80.56,-11.69,;81.9,-10.92,;81.9,-9.38,;80.57,-8.61,;80.58,-7.07,;79.24,-6.3,;79.24,-4.76,;80.57,-3.99,;80.57,-2.45,;81.91,-4.75,;81.91,-6.3,)| Show InChI InChI=1S/C20H19Cl3N4O2.C4H6O6/c1-27-18(15(22)9-25-27)14-8-17(29-19(14)23)20(28)26-16-10-24-7-6-13(16)11-2-4-12(21)5-3-11;5-1(3(7)8)2(6)4(9)10/h2-5,8-9,13,16,24H,6-7,10H2,1H3,(H,26,28);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528453
(CHEMBL4554683)Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1 |r,wU:16.17,wD:21.24,(47.52,-7.99,;47.2,-9.5,;45.79,-10.12,;45.95,-11.65,;47.45,-11.98,;48.07,-13.38,;48.22,-10.64,;49.76,-10.49,;50.79,-11.64,;52.19,-11.02,;52.04,-9.48,;50.53,-9.16,;49.91,-7.75,;53.52,-11.79,;53.52,-13.33,;54.86,-11.02,;56.19,-11.8,;56.18,-13.33,;57.51,-14.11,;58.85,-13.34,;58.86,-11.79,;57.52,-11.03,;57.53,-9.49,;56.2,-8.72,;56.2,-7.18,;57.53,-6.41,;57.52,-4.87,;58.86,-7.17,;58.87,-8.72,)| Show InChI InChI=1S/C20H19Cl3N4O2/c1-27-18(15(22)9-25-27)14-8-17(29-19(14)23)20(28)26-16-10-24-7-6-13(16)11-2-4-12(21)5-3-11/h2-5,8-9,13,16,24H,6-7,10H2,1H3,(H,26,28)/t13-,16+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50528478
(CHEMBL4471578)Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccccc1 |r,wD:1.0,2.2,(7.5,-5.09,;7.5,-3.55,;6.16,-2.78,;6.16,-1.24,;4.83,-3.55,;3.49,-2.78,;4.83,-5.09,;8.83,-2.78,;10.16,-3.55,;8.83,-1.24,;-8.88,4.01,;-9.21,2.5,;-10.62,1.88,;-10.46,.35,;-8.95,.02,;-8.33,-1.38,;-8.18,1.36,;-6.65,1.51,;-5.62,.36,;-4.22,.99,;-4.37,2.52,;-5.87,2.84,;-6.5,4.25,;-2.88,.21,;-2.89,-1.33,;-1.55,.98,;-.22,.2,;-.22,-1.33,;1.11,-2.11,;2.45,-1.34,;2.45,.21,;1.12,.97,;1.13,2.51,;-.21,3.28,;-.21,4.82,;1.12,5.59,;2.46,4.83,;2.46,3.28,)| Show InChI InChI=1S/C20H20Cl2N4O2.C4H6O6/c1-26-18(15(21)10-24-26)14-9-17(28-19(14)22)20(27)25-16-11-23-8-7-13(16)12-5-3-2-4-6-12;5-1(3(7)8)2(6)4(9)10/h2-6,9-10,13,16,23H,7-8,11H2,1H3,(H,25,27);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay |
J Med Chem 62: 7264-7288 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00891
BindingDB Entry DOI: 10.7270/Q2XW4P7W |
More data for this
Ligand-Target Pair | |
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