BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'adrián' and Initial = 'fj'   
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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISA


Nat Chem Biol 2: 95-102 (2006)


Article DOI: 10.1038/nchembio760
BindingDB Entry DOI: 10.7270/Q2H41RNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50325999
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 267n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISA


Nat Chem Biol 2: 95-102 (2006)


Article DOI: 10.1038/nchembio760
BindingDB Entry DOI: 10.7270/Q2H41RNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328120
PNG
(1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328121
PNG
(1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4cccnc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-2-1-7-22-8-12/h1-9,11H,10H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.15E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328122
PNG
(4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...)
Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.89E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328123
PNG
(1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluorome...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CC4CCOC4)ncc23)cc1
Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)24-15-14-7-23-25(16(14)22-10-21-15)8-11-5-6-26-9-11/h1-4,7,10-11H,5-6,8-9H2,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 690n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328124
PNG
(1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...)
Show SMILES CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328125
PNG
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.96E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328126
PNG
(1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...)
Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1
Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.92E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328127
PNG
(CHEMBL1258694 | N-(4-(trifluoromethoxy)phenyl)-1H-...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n[nH]cc23)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328128
PNG
(2-(4-(4-(Trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)20-12-11-7-22(5-6-23)21-13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.32E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328129
PNG
(2-ethyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo...)
Show SMILES CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O/c1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328130
PNG
(2-propyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...)
Show SMILES CCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C15H14F3N5O/c1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328132
PNG
(2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.34E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328133
PNG
(2-benzyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4ccccc4)cc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)25-17-16-11-27(26-18(16)24-12-23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328134
PNG
(2-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4cccnc4)cc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)25-16-15-10-27(26-17(15)24-11-23-16)9-12-2-1-7-22-8-12/h1-8,10-11H,9H2,(H,23,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50325999
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 92n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328135
PNG
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 114n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328136
PNG
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 43n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328137
PNG
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)
Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 57n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328138
PNG
((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 46n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328122
PNG
(4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...)
Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 598n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328125
PNG
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 394n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328126
PNG
(1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...)
Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1
Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 526n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328139
PNG
(CHEMBL1241934 | N4-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 720n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328140
PNG
(CHEMBL1258471 | N4-(3-morpholinopropyl)-N6-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C18H22F3N5O2/c19-18(20,21)28-15-4-2-14(3-5-15)25-17-12-16(23-13-24-17)22-6-1-7-26-8-10-27-11-9-26/h2-5,12-13H,1,6-11H2,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.47E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328141
PNG
(6-morpholino-N-(4-(trifluoromethoxy)phenyl)pyrimid...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)N2CCOCC2)cc1
Show InChI InChI=1S/C15H15F3N4O2/c16-15(17,18)24-12-3-1-11(2-4-12)21-13-9-14(20-10-19-13)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328142
PNG
(6-(1H-imidazol-1-yl)-N-(4-(trifluoromethoxy)phenyl...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-n2ccnc2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.66E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328143
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(Oc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
Show InChI InChI=1S/C18H13F3N4O3/c19-18(20,21)28-13-6-4-12(5-7-13)25-15-9-16(24-10-23-15)27-14-3-1-2-11(8-14)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328144
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(Nc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
Show InChI InChI=1S/C18H14F3N5O2/c19-18(20,21)28-14-6-4-12(5-7-14)25-15-9-16(24-10-23-15)26-13-3-1-2-11(8-13)17(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.92E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50325999
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328145
PNG
(4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-5-13(6-8-14)25-16-9-15(23-10-24-16)11-1-3-12(4-2-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328146
PNG
(2-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1ccccc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-12-7-5-11(6-8-12)25-16-9-15(23-10-24-16)13-3-1-2-4-14(13)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328147
PNG
(6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H11F3N4O/c17-16(18,19)24-13-3-1-12(2-4-13)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 470n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328148
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-6-4-12(5-7-13)24-16-9-15(22-10-23-16)11-2-1-3-14(8-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 580n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328149
PNG
(6-(3-(methylsulfonyl)phenyl)-N-(4-(trifluoromethox...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H14F3N3O3S/c1-28(25,26)15-4-2-3-12(9-15)16-10-17(23-11-22-16)24-13-5-7-14(8-6-13)27-18(19,20)21/h2-11H,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328150
PNG
(6-(3-aminophenyl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)25-14-6-4-13(5-7-14)24-16-9-15(22-10-23-16)11-2-1-3-12(21)8-11/h1-10H,21H2,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328151
PNG
(4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-5-3-12(4-6-13)24-16-9-15(22-10-23-16)11-1-7-14(8-2-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328135
PNG
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328152
PNG
(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 430n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328153
PNG
(CHEMBL1257424 | N-(2-morpholinoethyl)-3-(6-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-20-6-4-19(5-7-20)31-22-15-21(29-16-30-22)17-2-1-3-18(14-17)23(33)28-8-9-32-10-12-34-13-11-32/h1-7,14-16H,8-13H2,(H,28,33)(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 420n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328154
PNG
(CHEMBL1257538 | N-methyl-3-(6-(4-(trifluoromethoxy...)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C19H15F3N4O2/c1-23-18(27)13-4-2-3-12(9-13)16-10-17(25-11-24-16)26-14-5-7-15(8-6-14)28-19(20,21)22/h2-11H,1H3,(H,23,27)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 340n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328155
PNG
(CHEMBL1257539 | morpholino(3-(6-(4-(trifluorometho...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-6-4-17(5-7-18)28-20-13-19(26-14-27-20)15-2-1-3-16(12-15)21(30)29-8-10-31-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328136
PNG
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328137
PNG
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)
Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328156
PNG
(6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluorometh...)
Show SMILES CC(C)Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H18F3N5O/c1-12(2)9-26-10-13(8-24-26)16-7-17(23-11-22-16)25-14-3-5-15(6-4-14)27-18(19,20)21/h3-8,10-12H,9H2,1-2H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 360n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328157
PNG
(6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(triflu...)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C21H16F3N5O/c1-14-18(12-27-29(14)16-5-3-2-4-6-16)19-11-20(26-13-25-19)28-15-7-9-17(10-8-15)30-21(22,23)24/h2-13H,1H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328158
PNG
(CHEMBL1257780 | N-(4-(trifluoromethoxy)phenyl)-6-(...)
Show SMILES Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328159
PNG
(6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3cccnc3)c2)cc1
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)30-17-5-3-16(4-6-17)28-19-8-18(25-13-26-19)15-10-27-29(12-15)11-14-2-1-7-24-9-14/h1-10,12-13H,11H2,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 94 total )  |  Next  |  Last  >>
Jump to: