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BDBM5070 1,2,4-Oxadiazole Analogue 5c::4-[(2S)-2-{[(1S)-1-{3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid

SMILES: C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2cccc(Cl)c2)no1

InChI Key: InChIKey=HTWNQOJKTHDFKD-DJJJIMSYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5070   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM5070
PNG
(1,2,4-Oxadiazole Analogue 5c | 4-[(2S)-2-{[(1S)-1-...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2cccc(Cl)c2)no1 |r|
Show InChI InChI=1S/C22H24ClN4O7P/c1-13(22-26-20(27-33-22)12-16-4-3-5-17(23)10-16)24-21(29)19(25-14(2)28)11-15-6-8-18(9-7-15)34-35(30,31)32/h3-10,13,19H,11-12H2,1-2H3,(H,24,29)(H,25,28)(H2,30,31,32)/t13-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>5.00E+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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM5070
PNG
(1,2,4-Oxadiazole Analogue 5c | 4-[(2S)-2-{[(1S)-1-...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2cccc(Cl)c2)no1 |r|
Show InChI InChI=1S/C22H24ClN4O7P/c1-13(22-26-20(27-33-22)12-16-4-3-5-17(23)10-16)24-21(29)19(25-14(2)28)11-15-6-8-18(9-7-15)34-35(30,31)32/h3-10,13,19H,11-12H2,1-2H3,(H,24,29)(H,25,28)(H2,30,31,32)/t13-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.80E+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