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Compile Data Set for Download or QSAR

Found 7 hits of ki data for polymerid = 1392,195   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332698
PNG
(US10196378, Compound C01)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C27H29F3N6O3/c1-31-25(37)24-16-22(9-10-32-24)39-21-7-5-19(6-8-21)33-26(38)34-20-4-3-18(23(15-20)27(28,29)30)17-36-13-11-35(2)12-14-36/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H2,33,34,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332699
PNG
(US10196378, Compound C02)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H26F3N5O2/c1-32-12-14-33(15-13-32)17-18-2-3-20(16-23(18)25(26,27)28)31-24(34)30-19-4-6-21(7-5-19)35-22-8-10-29-11-9-22/h2-11,16H,12-15,17H2,1H3,(H2,30,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332700
PNG
(US10196378, Compound C03)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H27F3N6O2/c1-36-10-12-37(13-11-36)17-19-2-3-22(15-25(19)28(29,30)31)35-27(38)34-21-4-6-23(7-5-21)39-24-8-9-26-20(14-24)16-32-18-33-26/h2-9,14-16,18H,10-13,17H2,1H3,(H2,34,35,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332702
PNG
(US10196378, Compound C05)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-5-23(18-26(21)29(30,31)32)35-28(38)34-22-6-8-24(9-7-22)39-25-10-11-27-20(17-25)3-2-12-33-27/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<1n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332701
PNG
(US10196378, Compound C04)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Nc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H29F3N6O/c1-37-13-15-38(16-14-37)19-21-4-5-25(18-26(21)29(30,31)32)36-28(39)35-23-8-6-22(7-9-23)34-24-10-11-27-20(17-24)3-2-12-33-27/h2-12,17-18,34H,13-16,19H2,1H3,(H2,35,36,39)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.10n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332703
PNG
(US10196378, Compound C06)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM332704
PNG
(US10196378, Compound C07)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
119n/an/an/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.


US Patent US10196378 (2019)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2ZG6VCP
More data for this
Ligand-Target Pair