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8 similar compounds to monomer 50423736

Compile data set for download or QSAR
Wt: 514.6
BDBM50423721
Wt: 458.5
BDBM50423733
Wt: 500.6
BDBM50423735
Wt: 486.6
BDBM50423737
Wt: 500.6
BDBM50423738
Wt: 504.5
BDBM50423739
Wt: 472.5
BDBM141986
Wt: 472.5
BDBM141972

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50423721,50423733,50423735,50423737,50423738,50423739,141986,141972   
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-5


(Homo sapiens (human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a<100n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibronectin was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates (Nalge Nu...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423739
PNG
(CHEMBL591778)
Show SMILES Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H33FN4O3/c1-19-15-23(30)16-20(2)27(19)28(35)33-25(29(36)37)17-21-6-8-24(9-7-21)34-13-10-22(11-14-34)18-32-26-5-3-4-12-31-26/h3-9,12,15-16,22,25H,10-11,13-14,17-18H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (human))
BDBM141986
PNG
(US8927534, 262)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3ccccc3)C(O)=O)cc2)c1
Show InChI InChI=1S/C28H32N4O3/c1-20-11-14-29-26(17-20)30-19-22-12-15-32(16-13-22)24-9-7-21(8-10-24)18-25(28(34)35)31-27(33)23-5-3-2-4-6-23/h2-11,14,17,22,25H,12-13,15-16,18-19H2,1H3,(H,29,30)(H,31,33)(H,34,35)
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n/an/a<100n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibronectin was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates (Nalge Nu...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb


(Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a>1.00E+3n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb


(Homo sapiens (Human))
BDBM141972
PNG
(US8927534, 11)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CC(CNc3ccccn3)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-19(2)26(20(3)13-18)27(33)31-24(28(34)35)14-21-7-9-23(10-8-21)32-16-22(17-32)15-30-25-6-4-5-11-29-25/h4-13,22,24H,14-17H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)
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n/an/a>1.00E+3n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb


(Homo sapiens (Human))
BDBM141986
PNG
(US8927534, 262)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3ccccc3)C(O)=O)cc2)c1
Show InChI InChI=1S/C28H32N4O3/c1-20-11-14-29-26(17-20)30-19-22-12-15-32(16-13-22)24-9-7-21(8-10-24)18-25(28(34)35)31-27(33)23-5-3-2-4-6-23/h2-11,14,17,22,25H,12-13,15-16,18-19H2,1H3,(H,29,30)(H,31,33)(H,34,35)
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n/an/a>1.00E+3n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 380-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 380-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 84n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 380-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 2.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 380-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423733
PNG
(CHEMBL599877)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c32-26(22-6-2-1-3-7-22)30-24(27(33)34)18-20-9-11-23(12-10-20)31-16-13-21(14-17-31)19-29-25-8-4-5-15-28-25/h1-12,15,21,24H,13-14,16-19H2,(H,28,29)(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423733
PNG
(CHEMBL599877)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c32-26(22-6-2-1-3-7-22)30-24(27(33)34)18-20-9-11-23(12-10-20)31-16-13-21(14-17-31)19-29-25-8-4-5-15-28-25/h1-12,15,21,24H,13-14,16-19H2,(H,28,29)(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423733
PNG
(CHEMBL599877)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c32-26(22-6-2-1-3-7-22)30-24(27(33)34)18-20-9-11-23(12-10-20)31-16-13-21(14-17-31)19-29-25-8-4-5-15-28-25/h1-12,15,21,24H,13-14,16-19H2,(H,28,29)(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423733
PNG
(CHEMBL599877)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O3/c32-26(22-6-2-1-3-7-22)30-24(27(33)34)18-20-9-11-23(12-10-20)31-16-13-21(14-17-31)19-29-25-8-4-5-15-28-25/h1-12,15,21,24H,13-14,16-19H2,(H,28,29)(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423735
PNG
(CHEMBL592769)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H36N4O3/c1-20-16-21(2)28(22(3)17-20)29(35)33-26(30(36)37)18-23-7-9-25(10-8-23)34-14-11-24(12-15-34)19-32-27-6-4-5-13-31-27/h4-10,13,16-17,24,26H,11-12,14-15,18-19H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 2.10n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423735
PNG
(CHEMBL592769)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H36N4O3/c1-20-16-21(2)28(22(3)17-20)29(35)33-26(30(36)37)18-23-7-9-25(10-8-23)34-14-11-24(12-15-34)19-32-27-6-4-5-13-31-27/h4-10,13,16-17,24,26H,11-12,14-15,18-19H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 642n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423735
PNG
(CHEMBL592769)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H36N4O3/c1-20-16-21(2)28(22(3)17-20)29(35)33-26(30(36)37)18-23-7-9-25(10-8-23)34-14-11-24(12-15-34)19-32-27-6-4-5-13-31-27/h4-10,13,16-17,24,26H,11-12,14-15,18-19H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423735
PNG
(CHEMBL592769)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H36N4O3/c1-20-16-21(2)28(22(3)17-20)29(35)33-26(30(36)37)18-23-7-9-25(10-8-23)34-14-11-24(12-15-34)19-32-27-6-4-5-13-31-27/h4-10,13,16-17,24,26H,11-12,14-15,18-19H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423735
PNG
(CHEMBL592769)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H36N4O3/c1-20-16-21(2)28(22(3)17-20)29(35)33-26(30(36)37)18-23-7-9-25(10-8-23)34-14-11-24(12-15-34)19-32-27-6-4-5-13-31-27/h4-10,13,16-17,24,26H,11-12,14-15,18-19H2,1-3H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 198n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor-mediated HEK293 cell adhesion


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 2.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 84n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 2.34E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a 69n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor-mediated HEK293 cell adhesion


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423737
PNG
(CHEMBL591544)
Show SMILES Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H34N4O3/c1-20-6-5-7-21(2)27(20)28(34)32-25(29(35)36)18-22-9-11-24(12-10-22)33-16-13-23(14-17-33)19-31-26-8-3-4-15-30-26/h3-12,15,23,25H,13-14,16-19H2,1-2H3,(H,30,31)(H,32,34)(H,35,36)
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n/an/a 1.60n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423737
PNG
(CHEMBL591544)
Show SMILES Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H34N4O3/c1-20-6-5-7-21(2)27(20)28(34)32-25(29(35)36)18-22-9-11-24(12-10-22)33-16-13-23(14-17-33)19-31-26-8-3-4-15-30-26/h3-12,15,23,25H,13-14,16-19H2,1-2H3,(H,30,31)(H,32,34)(H,35,36)
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n/an/a 239n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423737
PNG
(CHEMBL591544)
Show SMILES Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H34N4O3/c1-20-6-5-7-21(2)27(20)28(34)32-25(29(35)36)18-22-9-11-24(12-10-22)33-16-13-23(14-17-33)19-31-26-8-3-4-15-30-26/h3-12,15,23,25H,13-14,16-19H2,1-2H3,(H,30,31)(H,32,34)(H,35,36)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423737
PNG
(CHEMBL591544)
Show SMILES Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H34N4O3/c1-20-6-5-7-21(2)27(20)28(34)32-25(29(35)36)18-22-9-11-24(12-10-22)33-16-13-23(14-17-33)19-31-26-8-3-4-15-30-26/h3-12,15,23,25H,13-14,16-19H2,1-2H3,(H,30,31)(H,32,34)(H,35,36)
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n/an/a 7.77E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423738
PNG
(CHEMBL591545)
Show SMILES CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C30H36N4O3/c1-3-24-8-6-7-21(2)28(24)29(35)33-26(30(36)37)19-22-10-12-25(13-11-22)34-17-14-23(15-18-34)20-32-27-9-4-5-16-31-27/h4-13,16,23,26H,3,14-15,17-20H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 2.20n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423738
PNG
(CHEMBL591545)
Show SMILES CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C30H36N4O3/c1-3-24-8-6-7-21(2)28(24)29(35)33-26(30(36)37)19-22-10-12-25(13-11-22)34-17-14-23(15-18-34)20-32-27-9-4-5-16-31-27/h4-13,16,23,26H,3,14-15,17-20H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 648n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423738
PNG
(CHEMBL591545)
Show SMILES CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C30H36N4O3/c1-3-24-8-6-7-21(2)28(24)29(35)33-26(30(36)37)19-22-10-12-25(13-11-22)34-17-14-23(15-18-34)20-32-27-9-4-5-16-31-27/h4-13,16,23,26H,3,14-15,17-20H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50423738
PNG
(CHEMBL591545)
Show SMILES CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C30H36N4O3/c1-3-24-8-6-7-21(2)28(24)29(35)33-26(30(36)37)19-22-10-12-25(13-11-22)34-17-14-23(15-18-34)20-32-27-9-4-5-16-31-27/h4-13,16,23,26H,3,14-15,17-20H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 8.72E+4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha2bbeta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50423739
PNG
(CHEMBL591778)
Show SMILES Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H33FN4O3/c1-19-15-23(30)16-20(2)27(19)28(35)33-25(29(36)37)17-21-6-8-24(9-7-21)34-13-10-22(11-14-34)18-32-26-5-3-4-12-31-26/h3-9,12,15-16,22,25H,10-11,13-14,17-18H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 2.70n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50423739
PNG
(CHEMBL591778)
Show SMILES Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H33FN4O3/c1-19-15-23(30)16-20(2)27(19)28(35)33-25(29(36)37)17-21-6-8-24(9-7-21)34-13-10-22(11-14-34)18-32-26-5-3-4-12-31-26/h3-9,12,15-16,22,25H,10-11,13-14,17-18H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 402n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta3 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens)
BDBM50423739
PNG
(CHEMBL591778)
Show SMILES Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1S/C29H33FN4O3/c1-19-15-23(30)16-20(2)27(19)28(35)33-25(29(36)37)17-21-6-8-24(9-7-21)34-13-10-22(11-14-34)18-32-26-5-3-4-12-31-26/h3-9,12,15-16,22,25H,10-11,13-14,17-18H2,1-2H3,(H,31,32)(H,33,35)(H,36,37)
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n/an/a 8.29E+3n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta5 receptor by ELISA


Bioorg Med Chem Lett 20: 65-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.030
BindingDB Entry DOI: 10.7270/Q2BR8TGJ
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (human))
BDBM141972
PNG
(US8927534, 11)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CC(CNc3ccccn3)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-19(2)26(20(3)13-18)27(33)31-24(28(34)35)14-21-7-9-23(10-8-21)32-16-22(17-32)15-30-25-6-4-5-11-29-25/h4-13,22,24H,14-17H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)
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US Patent
n/an/a>100n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibronectin was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates (Nalge Nu...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair