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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL' and Monomerid = 50289747   
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))
BDBM50289747
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H39F2N4O9P/c1-16(34)31-22(15-18-7-10-19(11-8-18)27(28,29)43(40,41)42)26(39)33-21(13-14-23(35)36)25(38)32-20(24(30)37)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,30,37)(H,31,34)(H,32,38)(H,33,39)(H,35,36)(H2,40,41,42)/t20-,21-,22-/m0/s1
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PC cid
PC sid
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Article
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289747
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H39F2N4O9P/c1-16(34)31-22(15-18-7-10-19(11-8-18)27(28,29)43(40,41)42)26(39)33-21(13-14-23(35)36)25(38)32-20(24(30)37)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,30,37)(H,31,34)(H,32,38)(H,33,39)(H,35,36)(H2,40,41,42)/t20-,21-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair