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SMILES: C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1

InChI Key: InChIKey=ZAPSYTZFCCPQMZ-XJKSGUPXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082330   
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))
BDBM50082330
PNG
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Affinity for Syk protein tyrosine kinase


Bioorg Med Chem Lett 9: 3009-14 (1999)


BindingDB Entry DOI: 10.7270/Q2ZS2VQR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50082330
PNG
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1
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KEGG

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PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Affinity for Src protein tryrosine kinase


Bioorg Med Chem Lett 9: 3009-14 (1999)


BindingDB Entry DOI: 10.7270/Q2ZS2VQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50082330
PNG
(3-(4-Phosphonooxy-benzyl)-N-{1-[3-(4-trifluorometh...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C23H23F3N3O8P/c1-13(22-28-19(29-36-22)11-15-2-6-17(7-3-15)23(24,25)26)27-21(32)16(12-20(30)31)10-14-4-8-18(9-5-14)37-38(33,34)35/h2-9,13,16H,10-12H2,1H3,(H,27,32)(H,30,31)(H2,33,34,35)/t13-,16+/m0/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70)


Bioorg Med Chem Lett 9: 3009-14 (1999)


BindingDB Entry DOI: 10.7270/Q2ZS2VQR
More data for this
Ligand-Target Pair