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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM5092'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM5092
PNG
(1,2,4-Oxadiazole Analogue 4a | 4-[(2S)-2-{[(1S)-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1 |r|
Show InChI InChI=1S/C24H28N5O8P/c1-15(30)26-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)27-19(11-12-21(25)31)24-28-22(29-36-24)14-16-5-3-2-4-6-16/h2-10,19-20H,11-14H2,1H3,(H2,25,31)(H,26,30)(H,27,32)(H2,33,34,35)/t19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Src-homology 2 (SRC SH2).


Bioorg Med Chem Lett 9: 2359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CX5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM5092
PNG
(1,2,4-Oxadiazole Analogue 4a | 4-[(2S)-2-{[(1S)-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1 |r|
Show InChI InChI=1S/C24H28N5O8P/c1-15(30)26-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)27-19(11-12-21(25)31)24-28-22(29-36-24)14-16-5-3-2-4-6-16/h2-10,19-20H,11-14H2,1H3,(H2,25,31)(H,26,30)(H,27,32)(H2,33,34,35)/t19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
Fluorescence polarization competitive binding assays were used to measure the IC50s of compounds binding to the different SH2 domains. The difference...


J Med Chem 42: 4088-98 (1999)


Article DOI: 10.1021/jm990229t
BindingDB Entry DOI: 10.7270/Q27D2SBP
More data for this
Ligand-Target Pair