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SMILES: OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1

InChI Key: InChIKey=NTAJXEZFRGYCDN-KDOFPFPSSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082328   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50082328
PNG
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)
Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.40E+4n/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 SYK


(Homo sapiens (Human))
BDBM50082328
PNG
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)
Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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))
BDBM50082328
PNG
(CHEMBL102766 | N-{1-[3-(3,4-Dichloro-benzyl)-[1,2,...)
Show SMILES OC[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C22H22Cl2N3O9P/c23-16-6-3-13(8-17(16)24)9-19-26-22(35-27-19)18(11-28)25-21(31)14(10-20(29)30)7-12-1-4-15(5-2-12)36-37(32,33)34/h1-6,8,14,18,28H,7,9-11H2,(H,25,31)(H,29,30)(H2,32,33,34)/t14-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7.00E+3n/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