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Compile Data Set for Download or QSAR

Found 192 hits for UniProtKB: P11274    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
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-N-(4-(2-morpholinoethoxy) phenyl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A26)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 10.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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)
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 136.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
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
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(pyrimidin-2-yl) benzamide (A19)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ncccn1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 210.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
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

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 214.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
N-(3-bromo-5-(trifluoromethyl) phenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A9)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cc(Br)cc(c1)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 219.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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)
Bcr-Abl


(Homo sapiens (Human))
N-(3,5-bis(trifluoromethyl) phenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A8)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 259.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
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
Bcr-Abl


(Homo sapiens (Human))
N-(5-chloropyridin-2-yl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A18)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccc(Cl)cn1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 305.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
Bcr-Abl


(Homo sapiens (Human))
N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A5)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
AffyNet 
Article
PubMed
n/an/a 483.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
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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
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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
Bcr-Abl


(Homo sapiens (Human))
N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A13)
PNG
Show SMILES COCc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
PDB
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n/an/a 542.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
N-(2-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A6)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccccc1F
PDB
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n/an/a 569.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
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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
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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
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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
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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
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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
Bcr-Abl


(Homo sapiens (Human))
N-(4-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A4)
PNG
Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
PDB
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n/an/a 924.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
N-(2, 6-dimethylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A12)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1c(C)cccc1C
PDB
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PubMed
n/an/a 956.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
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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
Bcr-Abl


(Homo sapiens (Human))
N-(3-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A7)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cccc(F)c1
PDB
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n/an/a 1069.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-p-tolyl benzamide (A10)
PNG
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
PDB
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PubMed
n/an/a 1105.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
PDB
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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
Bcr-Abl


(Homo sapiens (Human))
N-(3, 4-dichlorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A3)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1
PDB
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n/an/a 1513.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
PDB
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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
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N- (pyridin-4-yl) benzamide (A15)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccncc1
PDB
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n/an/a 2190.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
PDB
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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
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(thiazol-2-yl) benzamide (A20)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1nccs1
PDB
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n/an/a 3578.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-N-(pyridin-2-yl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A17)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccccn1
PDB
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n/an/a 3578.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


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
PDB
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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
PDB
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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
Bcr-Abl


(Homo sapiens (Human))
4-Methyl-N-(pyridin-3-yl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A16)
PNG
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1cccnc1
PDB
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n/an/a 4025.0n/an/an/an/an/an/a



Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China



Assay Description
ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...


Citation and Details
More data for this
Ligand-Target Pair
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