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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: P06756   
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
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50332898
PNG
(2-(benzo[d]thiazol-2-yl)-5-((4-chlorophenylthio)me...)
Show SMILES Clc1ccc(SCc2[nH]n(-c3nc4ccccc4s3)c(=O)c2C=NCc2ccco2)cc1
Show InChI InChI=1S/C23H17ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,27H,12,14H2
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n/an/an/an/a 1.30n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50332896
PNG
(CHEMBL1630982 | rac-N-(benzo[d][1,3]dioxol-5-ylmet...)
Show SMILES O=C(NCc1ccc2OCOc2c1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C26H23N3O5S/c30-26(28-16-19-11-12-22-23(15-19)34-17-33-22)21(14-18-6-2-1-3-7-18)29-35(31,32)24-10-4-8-20-9-5-13-27-25(20)24/h1-13,15,21,29H,14,16-17H2,(H,28,30)
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n/an/an/an/a 1.60n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50332897
PNG
(CHEMBL1631618 | rac-2-(benzo[c][1,2,5]thiadiazole-...)
Show SMILES O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C20H18N4O3S3/c25-20(21-13-15-7-4-10-28-15)19(11-14-5-2-1-3-6-14)24-30(26,27)16-8-9-17-18(12-16)23-29-22-17/h1-10,12,19,24H,11,13H2,(H,21,25)
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n/an/an/an/a 2.5n/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...


Bioorg Med Chem Lett 20: 7085-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.092
BindingDB Entry DOI: 10.7270/Q2Z60PB4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a 11n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50021393
PNG
(CHEMBL3289604)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)
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n/an/an/an/a 55n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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n/an/an/an/a 1.04E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...


Eur J Med Chem 83: 284-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.041
BindingDB Entry DOI: 10.7270/Q2S75HWX
More data for this
Ligand-Target Pair