Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50040744 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 |
|---|
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399374
(CHEMBL2178270)Show SMILES CN(C)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H32F3N9O/c1-19-4-5-20(13-28(19)43-18-27(38-40-43)22-12-23-16-36-39-29(23)35-15-22)30(44)37-24-7-6-21(26(14-24)31(32,33)34)17-42-10-8-25(9-11-42)41(2)3/h4-7,12-16,18,25H,8-11,17H2,1-3H3,(H,37,44)(H,35,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399367
(CHEMBL2178277)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25ClF3N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399373
(CHEMBL2178271)Show SMILES CN1C[C@H]2CN(Cc3ccc(NC(=O)c4ccc(C)c(c4)-n4cc(nn4)-c4cnc5[nH]ncc5c4)cc3C(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C31H30F3N9O/c1-18-3-4-19(8-28(18)43-17-27(38-40-43)21-7-22-11-36-39-29(22)35-10-21)30(44)37-25-6-5-20(26(9-25)31(32,33)34)14-42-15-23-12-41(2)13-24(23)16-42/h3-11,17,23-24H,12-16H2,1-2H3,(H,37,44)(H,35,36,39)/t23-,24+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399368
(CHEMBL2178276)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25F4N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399379
(CHEMBL2177649)Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-19(11-27(18)42-17-26(37-39-42)21-10-22-14-35-38-28(22)34-13-21)29(43)36-23-7-6-20(25(12-23)30(31,32)33)15-41-9-8-24(16-41)40(2)3/h4-7,10-14,17,24H,8-9,15-16H2,1-3H3,(H,36,43)(H,34,35,38)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399376
(CHEMBL2178268)Show SMILES CN1CCCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H30F3N9O/c1-19-4-5-20(13-27(19)42-18-26(37-39-42)22-12-23-16-35-38-28(23)34-15-22)29(43)36-24-7-6-21(25(14-24)30(31,32)33)17-41-9-3-8-40(2)10-11-41/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,36,43)(H,34,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399382
(CHEMBL2177646)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]nc(C)c4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-20(13-27(18)42-17-26(37-39-42)22-12-24-19(2)36-38-28(24)34-15-22)29(43)35-23-7-6-21(25(14-23)30(31,32)33)16-41-10-8-40(3)9-11-41/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,35,43)(H,34,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399396
(CHEMBL2177632)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N8O/c1-20-6-7-21(15-26(20)41-19-25(36-37-41)27-17-34-28-5-3-4-10-40(27)28)29(42)35-23-9-8-22(24(16-23)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-10,15-17,19H,11-14,18H2,1-2H3,(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399375
(CHEMBL2178269)Show SMILES CN1CCN(CC1)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H37F3N10O/c1-22-3-4-23(16-31(22)47-21-30(41-43-47)25-15-26-19-39-42-32(26)38-18-25)33(48)40-27-6-5-24(29(17-27)34(35,36)37)20-45-9-7-28(8-10-45)46-13-11-44(2)12-14-46/h3-6,15-19,21,28H,7-14,20H2,1-2H3,(H,40,48)(H,38,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399380
(CHEMBL2177648)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-19(11-27(18)42-17-26(37-39-42)21-10-22-14-35-38-28(22)34-13-21)29(43)36-23-7-6-20(25(12-23)30(31,32)33)15-41-9-8-24(16-41)40(2)3/h4-7,10-14,17,24H,8-9,15-16H2,1-3H3,(H,36,43)(H,34,35,38)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399394
(CHEMBL2177634)Show SMILES CNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H30F3N9O/c1-18-4-5-19(12-25(18)40-17-24(36-37-40)21-14-33-27(32-2)34-15-21)26(41)35-22-7-6-20(23(13-22)28(29,30)31)16-39-10-8-38(3)9-11-39/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,35,41)(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399383
(CHEMBL2177645)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N9O/c1-18-3-4-19(12-26(18)41-17-25(36-38-41)21-11-22-15-34-37-27(22)33-14-21)28(42)35-23-6-5-20(24(13-23)29(30,31)32)16-40-9-7-39(2)8-10-40/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,35,42)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399386
(CHEMBL2177642)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ccc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N8O/c1-19-3-4-21(14-27(19)41-18-26(37-38-41)23-13-20-7-8-34-28(20)35-16-23)29(42)36-24-6-5-22(25(15-24)30(31,32)33)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,34,35)(H,36,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399366
(CHEMBL2178278)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Br)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25BrF3N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399381
(CHEMBL2177647)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N8O/c1-17-4-5-18(11-25(17)39-16-24(35-37-39)20-10-21-14-33-36-26(21)32-13-20)27(40)34-22-7-6-19(15-38-8-2-3-9-38)23(12-22)28(29,30)31/h4-7,10-14,16H,2-3,8-9,15H2,1H3,(H,34,40)(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399395
(CHEMBL2177633)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(N)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H28F3N9O/c1-17-3-4-18(11-24(17)39-16-23(35-36-39)20-13-32-26(31)33-14-20)25(40)34-21-6-5-19(22(12-21)27(28,29)30)15-38-9-7-37(2)8-10-38/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,34,40)(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399365
(CHEMBL2178279)Show SMILES CCc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H30F3N9O/c1-3-19-4-5-20(13-27(19)42-18-26(37-39-42)22-12-23-16-35-38-28(23)34-15-22)29(43)36-24-7-6-21(25(14-24)30(31,32)33)17-41-10-8-40(2)9-11-41/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,36,43)(H,34,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399369
(CHEMBL2178275)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H26F3N9O/c1-38-7-9-39(10-8-38)16-19-5-6-22(13-24(19)28(29,30)31)34-27(41)18-3-2-4-23(12-18)40-17-25(35-37-40)20-11-21-15-33-36-26(21)32-14-20/h2-6,11-15,17H,7-10,16H2,1H3,(H,34,41)(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399392
(CHEMBL2177636)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(NC4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F3N9O/c1-19-3-4-20(13-27(19)42-18-26(38-39-42)22-15-34-29(35-16-22)37-23-7-8-23)28(43)36-24-6-5-21(25(14-24)30(31,32)33)17-41-11-9-40(2)10-12-41/h3-6,13-16,18,23H,7-12,17H2,1-2H3,(H,36,43)(H,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399371
(CHEMBL2178273)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cncn1 Show InChI InChI=1S/C25H17F3N10O/c1-14-2-3-15(5-22(14)37-11-21(34-36-37)16-4-17-10-31-35-23(17)30-9-16)24(39)33-19-6-18(25(26,27)28)7-20(8-19)38-13-29-12-32-38/h2-13H,1H3,(H,33,39)(H,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399393
(CHEMBL2177635)Show SMILES CCNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N9O/c1-4-33-28-34-15-22(16-35-28)25-18-41(38-37-25)26-13-20(6-5-19(26)2)27(42)36-23-8-7-21(24(14-23)29(30,31)32)17-40-11-9-39(3)10-12-40/h5-8,13-16,18H,4,9-12,17H2,1-3H3,(H,36,42)(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399377
(CHEMBL2178267)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N8O2/c1-17-2-3-18(11-25(17)39-16-24(35-37-39)20-10-21-14-33-36-26(21)32-13-20)27(40)34-22-5-4-19(23(12-22)28(29,30)31)15-38-6-8-41-9-7-38/h2-5,10-14,16H,6-9,15H2,1H3,(H,34,40)(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399372
(CHEMBL2178272)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)-n2cc(nn2)-c2cnc3[nH]ncc3c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H20F3N9O/c1-15-3-4-17(6-24(15)39-13-23(35-37-39)18-5-19-11-33-36-25(19)31-10-18)26(40)34-21-7-20(27(28,29)30)8-22(9-21)38-12-16(2)32-14-38/h3-14H,1-2H3,(H,34,40)(H,31,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399370
(CHEMBL2178274)Show SMILES Cc1ncn(n1)-c1cc(NC(=O)c2ccc(C)c(c2)-n2cc(nn2)-c2cnc3[nH]ncc3c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H19F3N10O/c1-14-3-4-16(6-23(14)38-12-22(34-37-38)17-5-18-11-32-35-24(18)30-10-17)25(40)33-20-7-19(26(27,28)29)8-21(9-20)39-13-31-15(2)36-39/h3-13H,1-2H3,(H,33,40)(H,30,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.94 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399397
(CHEMBL2177631)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnn4cccnc34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N9O/c1-19-4-5-20(14-26(19)41-18-25(36-37-41)23-16-34-40-9-3-8-33-27(23)40)28(42)35-22-7-6-21(24(15-22)29(30,31)32)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399378
(CHEMBL2177650)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H27F3N8O/c1-18-5-6-19(12-26(18)40-17-25(36-38-40)21-11-22-15-34-37-27(22)33-14-21)28(41)35-23-8-7-20(24(13-23)29(30,31)32)16-39-9-3-2-4-10-39/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,35,41)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.56 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399399
(CHEMBL2177629)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N9O/c1-19-5-6-20(14-25(19)40-18-24(36-37-40)26-16-33-27-4-3-9-34-41(26)27)28(42)35-22-8-7-21(23(15-22)29(30,31)32)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.67 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399398
(CHEMBL2177630)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4ncccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N9O/c1-19-4-5-20(14-25(19)41-18-24(36-37-41)26-16-34-28-33-8-3-9-40(26)28)27(42)35-22-7-6-21(23(15-22)29(30,31)32)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399391
(CHEMBL2177637)Show SMILES CC(C)Nc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H34F3N9O/c1-19(2)36-29-34-15-23(16-35-29)26-18-42(39-38-26)27-13-21(6-5-20(27)3)28(43)37-24-8-7-22(25(14-24)30(31,32)33)17-41-11-9-40(4)10-12-41/h5-8,13-16,18-19H,9-12,17H2,1-4H3,(H,37,43)(H,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.96 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399390
(CHEMBL2177638)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(NC4CCCCC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C33H38F3N9O/c1-22-8-9-23(31(46)39-27-11-10-24(28(17-27)33(34,35)36)20-44-14-12-43(2)13-15-44)16-30(22)45-21-29(41-42-45)25-18-37-32(38-19-25)40-26-6-4-3-5-7-26/h8-11,16-19,21,26H,3-7,12-15,20H2,1-2H3,(H,39,46)(H,37,38,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399364
(CHEMBL2178280)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C4CC4)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H30F3N9O/c1-41-8-10-42(11-9-41)17-21-4-6-24(14-26(21)31(32,33)34)37-30(44)20-5-7-25(19-2-3-19)28(13-20)43-18-27(38-40-43)22-12-23-16-36-39-29(23)35-15-22/h4-7,12-16,18-19H,2-3,8-11,17H2,1H3,(H,37,44)(H,35,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399384
(CHEMBL2177644)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3ccc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N8O/c1-19-3-4-21(14-28(19)41-18-27(37-38-41)20-6-8-26-23(13-20)16-34-36-26)29(42)35-24-7-5-22(25(15-24)30(31,32)33)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,34,36)(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399389
(CHEMBL2177639)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(NCc4ccccc4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H34F3N9O/c1-23-8-9-25(32(47)41-28-11-10-26(29(17-28)34(35,36)37)21-45-14-12-44(2)13-15-45)16-31(23)46-22-30(42-43-46)27-19-39-33(40-20-27)38-18-24-6-4-3-5-7-24/h3-11,16-17,19-20,22H,12-15,18,21H2,1-2H3,(H,41,47)(H,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399387
(CHEMBL2177641)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4ncnn4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H27F3N10O/c1-18-3-4-19(11-25(18)40-16-24(36-37-40)21-13-32-27-33-17-34-41(27)15-21)26(42)35-22-6-5-20(23(12-22)28(29,30)31)14-39-9-7-38(2)8-10-39/h3-6,11-13,15-17H,7-10,14H2,1-2H3,(H,35,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399363
(CHEMBL2178281)Show SMILES CC(C)c1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H32F3N9O/c1-19(2)25-7-5-20(13-28(25)43-18-27(38-40-43)22-12-23-16-36-39-29(23)35-15-22)30(44)37-24-6-4-21(26(14-24)31(32,33)34)17-42-10-8-41(3)9-11-42/h4-7,12-16,18-19H,8-11,17H2,1-3H3,(H,37,44)(H,35,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399385
(CHEMBL2177643)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3ccc4[nH]ccc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H30F3N7O/c1-20-3-4-23(16-29(20)41-19-28(37-38-41)21-6-8-27-22(15-21)9-10-35-27)30(42)36-25-7-5-24(26(17-25)31(32,33)34)18-40-13-11-39(2)12-14-40/h3-10,15-17,19,35H,11-14,18H2,1-2H3,(H,36,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399388
(CHEMBL2177640)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(nc3)N3CCCCC3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H36F3N9O/c1-22-6-7-23(16-29(22)44-21-28(39-40-44)25-18-36-31(37-19-25)43-10-4-3-5-11-43)30(45)38-26-9-8-24(27(17-26)32(33,34)35)20-42-14-12-41(2)13-15-42/h6-9,16-19,21H,3-5,10-15,20H2,1-2H3,(H,38,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this
Ligand-Target Pair | |
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