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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: P08514   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365354
PNG
(CHEMBL1956150)
Show SMILES OP(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H30N3O6PS/c26-22(18-6-8-19(9-7-18)31-15-12-17-10-13-23-14-11-17)24-16-21(32(27)28)25-33(29,30)20-4-2-1-3-5-20/h1-9,17,21,23,25,32H,10-16H2,(H,24,26)(H,27,28)/t21-/m1/s1
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n/an/an/an/a 7.80n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/an/a 13.6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365350
PNG
(CHEMBL1956154)
Show SMILES COP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H32N3O7PS/c1-32-34(28,29)22(26-35(30,31)21-5-3-2-4-6-21)17-25-23(27)19-7-9-20(10-8-19)33-16-13-18-11-14-24-15-12-18/h2-10,18,22,24,26H,11-17H2,1H3,(H,25,27)(H,28,29)/t22-/m1/s1
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n/an/an/an/a 40.8n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50365352
PNG
(CHEMBL1956152)
Show SMILES OP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H30N3O7PS/c26-22(18-6-8-19(9-7-18)32-15-12-17-10-13-23-14-11-17)24-16-21(33(27,28)29)25-34(30,31)20-4-2-1-3-5-20/h1-9,17,21,23,25H,10-16H2,(H,24,26)(H2,27,28,29)/t21-/m1/s1
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n/an/an/an/a 276n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry


J Med Chem 55: 871-82 (2012)


Article DOI: 10.1021/jm2013826
BindingDB Entry DOI: 10.7270/Q2MC90H4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Cell adhesion via integrin alphaIIb-beta3 expressed in CHO cells to fibrinogen


Bioorg Med Chem Lett 14: 657-61 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.045
BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair