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PubMed code 29132752

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length human N-terminal GST-tagged Syk-KD (356 to 635 residues) cytoplasmic domain expressed in baculovirus infe...


Bioorg Med Chem Lett 27: 5355-5372 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.002
BindingDB Entry DOI: 10.7270/Q2W37ZWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50124573
PNG
(CHEMBL1472460)
Show SMILES NCC(=O)Nc1cccc(c1)-c1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25)
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Article
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...


Bioorg Med Chem Lett 27: 5355-5372 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.002
BindingDB Entry DOI: 10.7270/Q2W37ZWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50124572
PNG
(CHEMBL1234739)
Show SMILES CCc1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
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PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...


Bioorg Med Chem Lett 27: 5355-5372 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.002
BindingDB Entry DOI: 10.7270/Q2W37ZWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%