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

InChI Key: InChIKey=CITNZQIFUQASAB-QFBILLFUSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082331   
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))
BDBM50082331
PNG
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50082331
PNG
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50082331
PNG
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.05E+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