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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Src' and Monomerid = 5064   
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))
BDBM5064
PNG
(1,2,4-Oxadiazole Analogue 4k | 4-[(2S)-2-{[(1S)-3-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1
Show InChI InChI=1S/C25H30N5O8P/c1-16(31)27-21(15-18-7-10-19(11-8-18)38-39(34,35)36)24(33)28-20(12-13-22(26)32)25-29-23(30-37-25)14-9-17-5-3-2-4-6-17/h2-8,10-11,20-21H,9,12-15H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H2,34,35,36)/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.56E+5n/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)


Article DOI: 10.1016/s0960-894x(99)00389-3
BindingDB Entry DOI: 10.7270/Q2G73CX5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM5064
PNG
(1,2,4-Oxadiazole Analogue 4k | 4-[(2S)-2-{[(1S)-3-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1
Show InChI InChI=1S/C25H30N5O8P/c1-16(31)27-21(15-18-7-10-19(11-8-18)38-39(34,35)36)24(33)28-20(12-13-22(26)32)25-29-23(30-37-25)14-9-17-5-3-2-4-6-17/h2-8,10-11,20-21H,9,12-15H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H2,34,35,36)/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.56E+5n/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