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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with BLAST sequence identity > 85%    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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)
Imatinib
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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
14.0n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
BMS-354825
PNG
(CHEMBL1421 | Dasatinib | N-(2-Chloro-6-methylpheny...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 0.8n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
Imatinib
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 1.1n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
PD173955
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 2.0n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1077317
PNG
((E)-3-(2-(6-(cyclopropylamino)-7H-purin-9(8H)-yl)v...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\N3CNc4c3ncnc4NC3CC3)c2)cc(c1)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0
AffyNet 
Article
PubMed
n/an/a 8.0n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1081312
PNG
(1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...)
Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 18.0n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
NILOTINIB
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 20.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of BCR-ABL1 expressed in Ba/F cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
BOSUTINIB
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 20.0n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760371
PNG
(N-(3-tert-butyl-5-(4-methyl-1H-imidazol-1-yl)pheny...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(C)(C)C
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 20.1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
NILOTINIB
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 39.3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
NILOTINIB
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 42.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL1 autophosphorylation in human K562 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760370
PNG
(N-(3-isopropyl-5-(4-methyl-1H-imidazol-1-yl)phenyl...)
Show SMILES CC(C)c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)-n1cnc(C)c1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 177.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
Imatinib
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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 221.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of BCR-ABL1 expressed in Ba/F cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760367
PNG
(4-methyl-N-(3-(1-methyl-1H-1,2,3-triazol-4-yl)-5-(...)
Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cn(C)nn1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 277.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
beta-cyclodextrin
PNG
(betadex)
Show SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 309.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
Imatinib
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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
DrugBank
IUPHAR‑DB
KEGG
MMDB
PC cid
PC sid
PDB
ZINC 0

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 473.0n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL1 autophosphorylation in human K562 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760365
PNG
(4-methyl-N-(3-(3-methyl-1H-1,2,4-triazol-1-yl)-5-(...)
Show SMILES Cc1ncn(n1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 480.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760366
PNG
(4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(triflu...)
Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 491.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760364
PNG
(N-(5-(1H-imidazol-1-yl)-3-(trifluoromethyl)-phenyl...)
Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 507.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL434335
PNG
(1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...)
Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 573.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760363
PNG
(N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethy...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 671.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL184742
PNG
(1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)N2CCCC2)cc1Nc1nccc(n1)-c1cccnc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 720.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1242482
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 750.0n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl after 20 mins by autoradiography


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760369
PNG
(4-methyl-N-(3-methyl-5-(4-methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)c1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 774.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL365673
PNG
(1-(3-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...)
Show SMILES CCN(CC)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a>1000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL186652
PNG
(1-(3-Chloro-phenyl)-3-[4-methyl-3-(4-pyridin-3-yl-...)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(n1)-c1cccnc1
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n/an/a 1003.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760373
PNG
(N-(3-chloro-5-(4-methyl-1H-imidazol-1-yl)phenyl)-4...)
Show SMILES Cc1cn(cn1)-c1cc(Cl)cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)c1
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n/an/a 1300.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760372
PNG
(N-[3-Adamantan-1-yl-5-(4-methyl-imidazol-1-yl)-phe...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C12CC3CC(CC(C3)C1)C2
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n/an/a>2000.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1080580
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1
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n/an/a 2700.0n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760374
PNG
(N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethy...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2cccc(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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n/an/a 3780.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL436509
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc(cnc2O)-c2ccc3OCOc3c2)cc1
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n/an/a 3800.0n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL377193
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
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n/an/a 4200.0n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of oncogenic Bcr-Abl kinase in K562 cells


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL185834
PNG
(4-Methyl-piperazine-1-carboxylic acid [4-methyl-3-...)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
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n/an/a>5000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760375
PNG
(4-ethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(triflu...)
Show SMILES CCc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
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n/an/a 5510.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL379687
PNG
(4,3'',5''-trimethoxy-[1,1';2',1'']-terphenyl)
Show SMILES COc1ccc(cc1)-c1ccccc1-c1cc(OC)cc(OC)c1
PDB
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n/an/a 6000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL208098
PNG
([1,1';2',1'']-terphenyl-4,3'',5''-triol)
Show SMILES Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1
PDB
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n/an/a 8000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL207244
PNG
(2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-methoxyphen...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc(OC)c2O)c1
PDB
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n/an/a 8000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL363926
PNG
(1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Cc1ccc(NC(=O)NCCN2CCCC2)cc1Nc1nccc(n1)-c1cccnc1
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n/an/a>9000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL199723
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(cnc3O)-c3ccc4OCOc4c3)cc2)CC1
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n/an/a 9500.0n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
trans-Stilbene Derivative, 4a
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
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n/an/a 10000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL206919
PNG
(4,3'',5''-trimethoxy-[1,1';3',1'']-terphenyl)
Show SMILES COc1ccc(cc1)-c1cccc(c1)-c1cc(OC)cc(OC)c1
PDB
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n/an/a 10000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL184709
PNG
(1-(4-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
PDB
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n/an/a>10000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL185775
PNG
(Piperidine-1-carboxylic acid [4-methyl-3-(4-pyridi...)
Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1
PDB
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n/an/a>10000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein


(Homo sapiens)
CHEMBL185901
PNG
(1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
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n/an/a>10000.0n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL83527
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
PDB
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n/an/a 10000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1760368
PNG
(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)-N-(...)
Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
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n/an/a>10000.0n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL1079113
PNG
(N-(4-methyl-3-(4-(6-methylpyridin-3-yl)pyrimidin-2...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3ccc(C)nc3)c2)CC1
PDB
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n/an/a 11000.0n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL370800
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(cnc3O)-c3ccc4OCOc4c3)cc2)CC1
PDB
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n/an/a 12900.0n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL381164
PNG
(3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol)
Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1
PDB
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n/an/a 14000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens)
CHEMBL207240
PNG
(3'',5''-dimethoxy-[1,1';2',1'']-terphenyl-4-ol)
Show SMILES COc1cc(OC)cc(c1)-c1ccccc1-c1ccc(O)cc1
PDB
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n/an/a 14000.0n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


Citation and Details
More data for this
Ligand-Target Pair
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