BindingDB logo
myBDB logout

PubMed code 20604564

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50323777
PNG
(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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


J Med Chem 53: 5439-48 (2010)


Article DOI: 10.1021/jm901808w
BindingDB Entry DOI: 10.7270/Q2PG1RZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50323778
PNG
(CHEMBL1214142 | N-(4-Methyl-3-(1-methyl-2-oxo-7-(p...)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccccc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C28H23F3N6O2/c1-17-11-12-22(33-25(38)18-7-6-8-20(13-18)28(29,30)31)14-23(17)37-16-19-15-32-26(34-21-9-4-3-5-10-21)35-24(19)36(2)27(37)39/h3-15H,16H2,1-2H3,(H,33,38)(H,32,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


J Med Chem 53: 5439-48 (2010)


Article DOI: 10.1021/jm901808w
BindingDB Entry DOI: 10.7270/Q2PG1RZP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%