BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 32 hits of ic50 data for polymerid = 4453   
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
ABL1(Q252H)


(Homo sapiens)
BDBM68208
PNG
(Type II inhibitor, 2)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-19(30-22(33)16-4-2-6-18(12-16)24(25,26)27)13-21(15)32-23-29-11-9-20(31-23)17-5-3-10-28-14-17/h2-14H,1H3,(H,30,33)(H,29,31,32)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68217
PNG
(Type I progenitor, 11)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C22H18Cl2N4O2/c1-12(29)13-5-3-6-15(9-13)26-22-25-11-14-10-16(21(30)28(2)20(14)27-22)19-17(23)7-4-8-18(19)24/h3-12,29H,1-2H3,(H,25,26,27)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.70n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68217
PNG
(Type I progenitor, 11)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C22H18Cl2N4O2/c1-12(29)13-5-3-6-15(9-13)26-22-25-11-14-10-16(21(30)28(2)20(14)27-22)19-17(23)7-4-8-18(19)24/h3-12,29H,1-2H3,(H,25,26,27)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 8n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68219
PNG
(Type II inhibitor, 13)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C31H25ClF3N5O3/c1-17(41)18-6-5-9-22(13-18)37-30-36-16-20-14-25(29(43)40(3)27(20)38-30)24-15-23(10-11-26(24)32)39(2)28(42)19-7-4-8-21(12-19)31(33,34)35/h4-17,41H,1-3H3,(H,36,37,38)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.10n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 11n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68218
PNG
(Type II inhibitor, 12)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C30H23ClF3N5O3/c1-16(40)17-5-4-8-21(12-17)37-29-35-15-19-13-24(28(42)39(2)26(19)38-29)23-14-22(9-10-25(23)31)36-27(41)18-6-3-7-20(11-18)30(32,33)34/h3-16,40H,1-2H3,(H,36,41)(H,35,37,38)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 19.6n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


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

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 23n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL1(Q252H)


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

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 24n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL1(Q252H)


(Homo sapiens)
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 27n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL1(Q252H)


(Homo sapiens)
BDBM68218
PNG
(Type II inhibitor, 12)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C30H23ClF3N5O3/c1-16(40)17-5-4-8-21(12-17)37-29-35-15-19-13-24(28(42)39(2)26(19)38-29)23-14-22(9-10-25(23)31)36-27(41)18-6-3-7-20(11-18)30(32,33)34/h3-16,40H,1-2H3,(H,36,41)(H,35,37,38)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 27.2n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68219
PNG
(Type II inhibitor, 13)
Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C31H25ClF3N5O3/c1-17(41)18-6-5-9-22(13-18)37-30-36-16-20-14-25(29(43)40(3)27(20)38-30)24-15-23(10-11-26(24)32)39(2)28(42)19-7-4-8-21(12-19)31(33,34)35/h4-17,41H,1-3H3,(H,36,37,38)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 150n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68208
PNG
(Type II inhibitor, 2)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-19(30-22(33)16-4-2-6-18(12-16)24(25,26)27)13-21(15)32-23-29-11-9-20(31-23)17-5-3-10-28-14-17/h2-14H,1H3,(H,30,33)(H,29,31,32)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 152n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68214
PNG
(Type II inhibitor, 8)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1
Show InChI InChI=1S/C25H17F3N4O2S/c1-13-9-17(31-23(33)14-3-2-4-16(10-14)25(26,27)28)5-6-19(13)32-24(34)20-11-15-12-30-22-18(7-8-29-22)21(15)35-20/h2-12H,1H3,(H,29,30)(H,31,33)(H,32,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 154n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68211
PNG
(Type II inhibitor, 5)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 374n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68209
PNG
(Type II inhibitor, 3)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H20F3N5O/c1-16-8-9-20(33(2)23(34)17-5-3-7-19(13-17)25(26,27)28)14-22(16)32-24-30-12-10-21(31-24)18-6-4-11-29-15-18/h3-15H,1-2H3,(H,30,31,32)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.36E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL1(Q252H)


(Homo sapiens)
BDBM68211
PNG
(Type II inhibitor, 5)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68210
PNG
(Type I progenitor, 4)
Show SMILES O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8N4O3/c17-16(18)8-1-3-9(4-2-8)19-12-10-5-6-13-11(10)14-7-15-12/h1-7H,(H,13,14,15)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68216
PNG
(Type II inhibitor, 10)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1
Show InChI InChI=1S/C26H19F3N4O2S/c1-14-10-18(33(2)25(35)15-4-3-5-17(11-15)26(27,28)29)6-7-20(14)32-24(34)21-12-16-13-31-23-19(8-9-30-23)22(16)36-21/h3-13H,1-2H3,(H,30,31)(H,32,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68212
PNG
(Type II inhibitor, 6)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-3-1-2-13(10-14)11-18(29)28-15-4-6-16(7-5-15)30-20-17-8-9-25-19(17)26-12-27-20/h1-10,12H,11H2,(H,28,29)(H,25,26,27)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68213
PNG
(Type I progenitor, 7)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1
Show InChI InChI=1S/C20H18N4O2S/c25-20(17-11-13-12-22-19-16(5-6-21-19)18(13)27-17)23-14-1-3-15(4-2-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,21,22)(H,23,25)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68220
PNG
(Type II inhibitor, 15)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O
Show InChI InChI=1S/C23H21F3N6O2/c1-13-7-8-17(30(2)20(33)14-5-4-6-16(9-14)23(24,25)26)10-18(13)32-12-15-11-28-21(27)29-19(15)31(3)22(32)34/h4-11H,12H2,1-3H3,(H2,27,28,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68216
PNG
(Type II inhibitor, 10)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1
Show InChI InChI=1S/C26H19F3N4O2S/c1-14-10-18(33(2)25(35)15-4-3-5-17(11-15)26(27,28)29)6-7-20(14)32-24(34)21-12-16-13-31-23-19(8-9-30-23)22(16)36-21/h3-13H,1-2H3,(H,30,31)(H,32,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68210
PNG
(Type I progenitor, 4)
Show SMILES O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8N4O3/c17-16(18)8-1-3-9(4-2-8)19-12-10-5-6-13-11(10)14-7-15-12/h1-7H,(H,13,14,15)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68213
PNG
(Type I progenitor, 7)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1
Show InChI InChI=1S/C20H18N4O2S/c25-20(17-11-13-12-22-19-16(5-6-21-19)18(13)27-17)23-14-1-3-15(4-2-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,21,22)(H,23,25)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68209
PNG
(Type II inhibitor, 3)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H20F3N5O/c1-16-8-9-20(33(2)23(34)17-5-3-7-19(13-17)25(26,27)28)14-22(16)32-24-30-12-10-21(31-24)18-6-4-11-29-15-18/h3-15H,1-2H3,(H,30,31,32)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68214
PNG
(Type II inhibitor, 8)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1
Show InChI InChI=1S/C25H17F3N4O2S/c1-13-9-17(31-23(33)14-3-2-4-16(10-14)25(26,27)28)5-6-19(13)32-24(34)20-11-15-12-30-22-18(7-8-29-22)21(15)35-20/h2-12H,1H3,(H,29,30)(H,31,33)(H,32,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68220
PNG
(Type II inhibitor, 15)
Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O
Show InChI InChI=1S/C23H21F3N6O2/c1-13-7-8-17(30(2)20(33)14-5-4-6-16(9-14)23(24,25)26)10-18(13)32-12-15-11-28-21(27)29-19(15)31(3)22(32)34/h4-11H,12H2,1-3H3,(H2,27,28,29)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68207
PNG
(Type I progenitor, 1)
Show SMILES Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C16H13ClN4/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68212
PNG
(Type II inhibitor, 6)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-3-1-2-13(10-14)11-18(29)28-15-4-6-16(7-5-15)30-20-17-8-9-25-19(17)26-12-27-20/h1-10,12H,11H2,(H,28,29)(H,25,26,27)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair
ABL1(Q252H)


(Homo sapiens)
BDBM68207
PNG
(Type I progenitor, 1)
Show SMILES Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C16H13ClN4/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+3n/an/an/an/a7.5n/a



The Scripps Research Institute



Assay Description
An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...


Chem Biol 13: 779-86 (2006)

More data for this
Ligand-Target Pair