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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50041480   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50237601
PNG
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50100971
PNG
(CHEMBL40929 | N-(3,5-dichlorophenyl)imidodicarboni...)
Show SMILES NC(=N)N=C(N)Nc1cc(Cl)cc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 3.35E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50100977
PNG
(3,4-dichloro-phenylbiguanide | CHEMBL41433 | N-(3,...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)c(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H9Cl2N5/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195106
PNG
(CHEMBL220928 | N-[3,5-bis(trifluoromethyl)phenyl]i...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.6|
Show InChI InChI=1S/C10H9F6N5/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)20-8(19)21-7(17)18/h1-3H,(H6,17,18,19,20,21)
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n/an/a 3.95E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195100
PNG
((Z)-N-(2,6-dimethoxypyrimidin-4-yl)-4-((1-(4-iodop...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3ccc(I)cc3)c2=O)nc(OC)n1 |w:15.15|
Show InChI InChI=1S/C23H21IN6O5S/c1-14-19(22(31)30(28-14)17-8-4-15(24)5-9-17)13-25-16-6-10-18(11-7-16)36(32,33)29-20-12-21(34-2)27-23(26-20)35-3/h4-13,28H,1-3H3,(H,26,27,29)
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n/an/a 5.35E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195099
PNG
(CHEMBL220979 | N-(2,4-dichlorophenyl)imidodicarbon...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1ccc(Cl)cc1Cl |w:6.6|
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 6.69E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50154223
PNG
(CHEMBL185802 | N-(2,3-dichlorophenyl)imidodicarbon...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1Cl |w:3.2|
Show InChI InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 8.73E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195101
PNG
(CHEMBL222122 | N-(3-chloro-4-fluorophenyl)imidodic...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1ccc(F)c(Cl)c1 |w:6.6|
Show InChI InChI=1S/C8H9ClFN5/c9-5-3-4(1-2-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 9.73E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195089
PNG
(CHEMBL221952 | N-(2,5-dichlorophenyl)imidodicarbon...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1cc(Cl)ccc1Cl |w:6.6|
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-2-5(10)6(3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195088
PNG
(CHEMBL219378 | N-{4-[(trifluoromethyl)thio]phenyl}...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1ccc(-[#16]C(F)(F)F)cc1 |w:6.6|
Show InChI InChI=1S/C9H10F3N5S/c10-9(11,12)18-6-3-1-5(2-4-6)16-8(15)17-7(13)14/h1-4H,(H6,13,14,15,16,17)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195102
PNG
(CHEMBL219484 | N-[2-chloro-5-(trifluoromethyl)phen...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1cc(ccc1Cl)C(F)(F)F |w:6.6|
Show InChI InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18)
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n/an/a 1.27E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195090
PNG
(CHEMBL385111 | {2-bromo-6-ethoxy-4-[8-methyl-3-oxo...)
Show SMILES CCOc1cc(\C=c2/sc3nc4c(C)cccc4n3c2=O)cc(Br)c1OCC(O)=O
Show InChI InChI=1S/C21H17BrN2O5S/c1-3-28-15-8-12(7-13(22)19(15)29-10-17(25)26)9-16-20(27)24-14-6-4-5-11(2)18(14)23-21(24)30-16/h4-9H,3,10H2,1-2H3,(H,25,26)/b16-9-
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n/an/a 1.32E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195096
PNG
(2-(2,4-dichloro-phenoxy)-N-[4-(2,6-dimethoxy-pyrim...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1
Show InChI InChI=1S/C20H18Cl2N4O6S/c1-30-19-10-17(24-20(25-19)31-2)26-33(28,29)14-6-4-13(5-7-14)23-18(27)11-32-16-8-3-12(21)9-15(16)22/h3-10H,11H2,1-2H3,(H,23,27)(H,24,25,26)
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n/an/a 1.37E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195094
PNG
((Z)-4-(4-(4-(benzoyloxy)-3-methoxybenzylidene)-3-m...)
Show SMILES COc1cc(C=c2c(=C)[nH]n(-c3ccc(cc3)C(O)=O)c2=O)ccc1OC(=O)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C26H20N2O6/c1-16-21(24(29)28(27-16)20-11-9-18(10-12-20)25(30)31)14-17-8-13-22(23(15-17)33-2)34-26(32)19-6-4-3-5-7-19/h3-15,27H,1H2,2H3,(H,30,31)
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n/an/a 1.43E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/a 1.49E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195098
PNG
(CHEMBL386940 | N-(2-{2-hydroxy-4-[2-(4-methyl-4H-[...)
Show SMILES Cn1cnnc1SCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CSc4nncn4C)cc3o2)c(O)c1
Show InChI InChI=1S/C23H21N9O4S2/c1-31-11-24-29-22(31)37-9-19(34)26-13-3-5-15(17(33)7-13)21-28-16-6-4-14(8-18(16)36-21)27-20(35)10-38-23-30-25-12-32(23)2/h3-8,11-12,33H,9-10H2,1-2H3,(H,26,34)(H,27,35)
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n/an/a 1.62E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195093
PNG
(CHEMBL221306 | N-{4-[(difluoromethyl)thio]phenyl}i...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](-[#7])=[#7]-c1ccc(-[#16]-[#6](F)F)cc1 |w:6.6|
Show InChI InChI=1S/C9H11F2N5S/c10-7(11)17-6-3-1-5(2-4-6)15-9(14)16-8(12)13/h1-4,7H,(H6,12,13,14,15,16)
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n/an/a 1.78E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195104
PNG
(2-(4-(5-(4-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc2C1=O
Show InChI InChI=1S/C28H17N3O8/c32-25(29-24-4-2-1-3-22(24)28(35)36)16-5-7-17(8-6-16)30-26(33)21-14-13-20(15-23(21)27(30)34)39-19-11-9-18(10-12-19)31(37)38/h1-15H,(H,29,32)(H,35,36)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/a 1.91E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195095
PNG
(CHEMBL221309 | ethyl 3-{[{[amino(imino)methyl]amin...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cccc(c1)-[#7]=[#6](-[#7])\[#7]=[#6](\[#7])-[#7] |w:11.11|
Show InChI InChI=1S/C11H15N5O2/c1-2-18-9(17)7-4-3-5-8(6-7)15-11(14)16-10(12)13/h3-6H,2H2,1H3,(H6,12,13,14,15,16)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195097
PNG
(CHEMBL375650 | N-(2-ethoxyphenyl)imidodicarbonimid...)
Show SMILES [#6]-[#6]-[#8]-c1ccccc1-[#7]=[#6](-[#7])\[#7]=[#6](\[#7])-[#7] |w:9.9|
Show InChI InChI=1S/C10H15N5O/c1-2-16-8-6-4-3-5-7(8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6|
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195103
PNG
(CHEMBL221253 | N-[3-(methylthio)phenyl]imidodicarb...)
Show SMILES [#6]-[#16]-c1cccc(c1)-[#7]=[#6](-[#7])\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C9H13N5S/c1-15-7-4-2-3-6(5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195091
PNG
(CHEMBL375434 | N-(5-chloro-2-methylphenyl)imidodic...)
Show SMILES [#6]-c1ccc(Cl)cc1-[#7]=[#6](-[#7])\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C9H12ClN5/c1-5-2-3-6(10)4-7(5)14-9(13)15-8(11)12/h2-4H,1H3,(H6,11,12,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50195105
PNG
(CHEMBL221310 | N-[2-(methylthio)phenyl]imidodicarb...)
Show SMILES [#6]-[#16]-c1ccccc1-[#7]=[#6](-[#7])\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C9H13N5S/c1-15-7-5-3-2-4-6(7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair