Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50490888' 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 |
|---|
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50490888
(CHEMBL2347725)Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KAIST)
Curated by ChEMBL
| Assay Description
Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase... |
J Med Chem 56: 3531-45 (2013)
Article DOI: 10.1021/jm301891t
BindingDB Entry DOI: 10.7270/Q2BG2RW2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50490888
(CHEMBL2347725)Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50490888
(CHEMBL2347725)Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50490888
(CHEMBL2347725)Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1 Show InChI InChI=1S/C22H27N5O2S/c1-26-11-13-27(14-12-26)10-9-23-21(28)25-22-24-18-8-7-16(15-20(18)30-22)17-5-3-4-6-19(17)29-2/h3-8,15H,9-14H2,1-2H3,(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
