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11 similar compounds to monomer 17920

Compile data set for download or QSAR
Wt: 567.6
BDBM17919
Wt: 643.7
BDBM17921
Wt: 642.7
BDBM17922
Wt: 553.6
BDBM17923
Wt: 552.6
BDBM17924
Wt: 569.6
BDBM17926
Wt: 629.7
BDBM17927
Wt: 679.7
BDBM17928
Wt: 553.6
BDBM17930
Wt: 657.7
BDBM17939
Wt: 671.7
BDBM17940

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 17919,17921,17922,17923,17924,17926,17927,17928,17930,17939,17940   
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 alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17919
PNG
(2-(4-{[(2S,4R)-4-methoxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCN(CC(O)=O)CC1
Show InChI InChI=1S/C29H37N5O7/c1-19-6-4-5-7-22(19)30-29(39)31-23-9-8-20(14-25(23)41-3)15-26(35)34-17-21(40-2)16-24(34)28(38)33-12-10-32(11-13-33)18-27(36)37/h4-9,14,21,24H,10-13,15-18H2,1-3H3,(H,36,37)(H2,30,31,39)/t21-,24+/m1/s1
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n/an/a 2n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17921
PNG
(2-(4-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C35H41N5O7/c1-24-8-6-7-11-28(24)36-35(45)37-29-13-12-26(18-31(29)46-2)19-32(41)40-21-27(47-23-25-9-4-3-5-10-25)20-30(40)34(44)39-16-14-38(15-17-39)22-33(42)43/h3-13,18,27,30H,14-17,19-23H2,1-2H3,(H,42,43)(H2,36,37,45)/t27-,30+/m1/s1
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n/an/a 1.60n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17922
PNG
(2-(1-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C36H42N4O7/c1-24-8-6-7-11-29(24)37-36(45)38-30-13-12-27(18-32(30)46-2)19-33(41)40-22-28(47-23-26-9-4-3-5-10-26)21-31(40)35(44)39-16-14-25(15-17-39)20-34(42)43/h3-13,18,25,28,31H,14-17,19-23H2,1-2H3,(H,42,43)(H2,37,38,45)/t28-,31+/m1/s1
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n/an/a 0.940n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17923
PNG
(2-(4-{[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O7/c1-18-5-3-4-6-21(18)29-28(39)30-22-8-7-19(13-24(22)40-2)14-25(35)33-16-20(34)15-23(33)27(38)32-11-9-31(10-12-32)17-26(36)37/h3-8,13,20,23,34H,9-12,14-17H2,1-2H3,(H,36,37)(H2,29,30,39)/t20-,23+/m1/s1
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n/an/a 5.10n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17924
PNG
(2-(1-{[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C29H36N4O7/c1-18-5-3-4-6-22(18)30-29(39)31-23-8-7-20(13-25(23)40-2)14-26(35)33-17-21(34)16-24(33)28(38)32-11-9-19(10-12-32)15-27(36)37/h3-8,13,19,21,24,34H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t21-,24+/m1/s1
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n/an/a 1.10n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17940
PNG
(2-(4-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC2)C(C)(C)C(O)=O)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C37H45N5O7/c1-25-10-8-9-13-29(25)38-36(47)39-30-15-14-27(20-32(30)48-4)21-33(43)42-23-28(49-24-26-11-6-5-7-12-26)22-31(42)34(44)40-16-18-41(19-17-40)37(2,3)35(45)46/h5-15,20,28,31H,16-19,21-24H2,1-4H3,(H,45,46)(H2,38,39,47)/t28-,31+/m1/s1
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n/an/a 185n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17927
PNG
(2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...)
Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C34H39N5O7/c1-23-8-6-7-11-27(23)35-34(44)36-28-13-12-24(18-30(28)45-2)19-31(40)39-21-26(46-25-9-4-3-5-10-25)20-29(39)33(43)38-16-14-37(15-17-38)22-32(41)42/h3-13,18,26,29H,14-17,19-22H2,1-2H3,(H,41,42)(H2,35,36,44)/t26-,29-/m0/s1
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n/an/a 1.20n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17928
PNG
(2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...)
Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccc3ccccc3c2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C38H41N5O7/c1-25-7-3-6-10-31(25)39-38(48)40-32-14-11-26(19-34(32)49-2)20-35(44)43-23-30(50-29-13-12-27-8-4-5-9-28(27)21-29)22-33(43)37(47)42-17-15-41(16-18-42)24-36(45)46/h3-14,19,21,30,33H,15-18,20,22-24H2,1-2H3,(H,45,46)(H2,39,40,48)/t30-,33-/m0/s1
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n/an/a 1.40n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17930
PNG
(2-(4-{[(2S,3S)-3-hydroxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2CC[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O7/c1-18-5-3-4-6-20(18)29-28(39)30-21-8-7-19(15-23(21)40-2)16-24(35)33-10-9-22(34)26(33)27(38)32-13-11-31(12-14-32)17-25(36)37/h3-8,15,22,26,34H,9-14,16-17H2,1-2H3,(H,36,37)(H2,29,30,39)/t22-,26-/m0/s1
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n/an/a 0.960n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17939
PNG
(2-(4-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC2)C(C)C(O)=O)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C36H43N5O7/c1-24-9-7-8-12-29(24)37-36(46)38-30-14-13-27(19-32(30)47-3)20-33(42)41-22-28(48-23-26-10-5-4-6-11-26)21-31(41)34(43)40-17-15-39(16-18-40)25(2)35(44)45/h4-14,19,25,28,31H,15-18,20-23H2,1-3H3,(H,44,45)(H2,37,38,46)/t25?,28-,31+/m1/s1
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n/an/a 231n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17926
PNG
(2-(4-{[(2S,3R,4S)-3,4-dihydroxy-1-[2-(3-methoxy-4-...)
Show SMILES COc1cc(CC(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O8/c1-17-5-3-4-6-19(17)29-28(40)30-20-8-7-18(13-22(20)41-2)14-23(35)33-15-21(34)26(38)25(33)27(39)32-11-9-31(10-12-32)16-24(36)37/h3-8,13,21,25-26,34,38H,9-12,14-16H2,1-2H3,(H,36,37)(H2,29,30,40)/t21-,25-,26-/m0/s1
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n/an/a 1.40n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair