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19 similar compounds to monomer 50004063

Compile data set for download or QSAR
Wt: 442.5
BDBM50004056
Wt: 428.5
BDBM50004059
Wt: 454.5
BDBM50004060
Wt: 428.5
BDBM50004062
Wt: 433.4
BDBM50004068
Wt: 414.4
BDBM50004070
Wt: 444.5
BDBM50004072
Wt: 469.5
BDBM50039571
Wt: 484.6
BDBM50039575
Wt: 468.5
BDBM50039578
Wt: 468.5
BDBM50039582
Wt: 455.5
BDBM50039585
Wt: 452.5
BDBM50039586
Wt: 485.6
BDBM50039587
Wt: 455.5
BDBM50039588
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50004056,50004059,50004060,50004062,50004068,50004070,50004072,50039571,50039575,50039578,50039582,50039585,50039586,50039587,50039588   
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))
BDBM50004072
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O6/c1-24(2,3)25-14-19(27)16-31-20-11-9-17(10-12-20)13-21(22(28)29)26-23(30)32-15-18-7-5-4-6-8-18/h4-12,19,21,25,27H,13-16H2,1-3H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004062
PNG
((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...)
Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HUVEC attachment to human fibrinogen


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039571
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(5-piperazin-1-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H35N3O5/c30-25(31)24(28-26(32)34-20-22-7-3-1-4-8-22)19-21-9-11-23(12-10-21)33-18-6-2-5-15-29-16-13-27-14-17-29/h1,3-4,7-12,24,27H,2,5-6,13-20H2,(H,28,32)(H,30,31)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039575
PNG
((S)-2-Benzyloxycarbonylamino-3-{4-[3-(1,1,3,3-tetr...)
Show SMILES CC(C)(C)CC(C)(C)NCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H40N2O5/c1-27(2,3)20-28(4,5)29-16-9-17-34-23-14-12-21(13-15-23)18-24(25(31)32)30-26(33)35-19-22-10-7-6-8-11-22/h6-8,10-15,24,29H,9,16-20H2,1-5H3,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039578
PNG
((S)-2-Benzyloxycarbonylamino-2-methyl-3-[4-(4-pipe...)
Show SMILES C[C@@](Cc1ccc(OCCCCC2CCNCC2)cc1)(NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H36N2O5/c1-27(25(30)31,29-26(32)34-20-23-8-3-2-4-9-23)19-22-10-12-24(13-11-22)33-18-6-5-7-21-14-16-28-17-15-21/h2-4,8-13,21,28H,5-7,14-20H2,1H3,(H,29,32)(H,30,31)/t27-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50004060
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004068
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-phenyl-propox...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCc2ccccc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H27NO5/c28-25(29)24(27-26(30)32-19-22-10-5-2-6-11-22)18-21-13-15-23(16-14-21)31-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,27,30)(H,28,29)/t24-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004056
PNG
((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004070
PNG
((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H30N2O5/c24-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(26)27)25-23(28)30-17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039582
PNG
((S)-2-(Benzyloxycarbonyl-methyl-amino)-3-[4-(4-pip...)
Show SMILES CN([C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N2O5/c1-29(27(32)34-20-23-8-3-2-4-9-23)25(26(30)31)19-22-10-12-24(13-11-22)33-18-6-5-7-21-14-16-28-17-15-21/h2-4,8-13,21,25,28H,5-7,14-20H2,1H3,(H,30,31)/t25-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039585
PNG
((S)-2-Benzyloxycarbonylamino-3-{4-[3-(4-methyl-pip...)
Show SMILES CN1CCN(CCCOc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(O)=O)cc2)CC1
Show InChI InChI=1S/C25H33N3O5/c1-27-13-15-28(16-14-27)12-5-17-32-22-10-8-20(9-11-22)18-23(24(29)30)26-25(31)33-19-21-6-3-2-4-7-21/h2-4,6-11,23H,5,12-19H2,1H3,(H,26,31)(H,29,30)/t23-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039586
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-((E)-4-piperidin...)
Show SMILES OC(=O)[C@H](Cc1ccc(OC\C=C\CC2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H32N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-5,7-12,20,24,27H,6,13-19H2,(H,28,31)(H,29,30)/b5-4+/t24-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039588
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperazin-1-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c29-24(30)23(27-25(31)33-19-21-6-2-1-3-7-21)18-20-8-10-22(11-9-20)32-17-5-4-14-28-15-12-26-13-16-28/h1-3,6-11,23,26H,4-5,12-19H2,(H,27,31)(H,29,30)/t23-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50004062
PNG
((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...)
Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a>4.50E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibronectin


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50039587
PNG
((S)-2-Benzyloxycarbonylamino-3-{4-[3-(3-dimethylam...)
Show SMILES CN(C)CC(C)(C)CNCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H39N3O5/c1-27(2,20-30(3)4)19-28-15-8-16-34-23-13-11-21(12-14-23)17-24(25(31)32)29-26(33)35-18-22-9-6-5-7-10-22/h5-7,9-14,24,28H,8,15-20H2,1-4H3,(H,29,33)(H,31,32)/t24-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50004062
PNG
((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...)
Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004062
PNG
((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...)
Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004060
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50004060
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1
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PubMed
n/an/a 5.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to vitronectin


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004059
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c1-24(2,3)25-14-7-15-30-20-12-10-18(11-13-20)16-21(22(27)28)26-23(29)31-17-19-8-5-4-6-9-19/h4-6,8-13,21,25H,7,14-17H2,1-3H3,(H,26,29)(H,27,28)/t21-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50004062
PNG
((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...)
Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
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n/an/a 1.47E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to vitronectin


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004072
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O6/c1-24(2,3)25-14-19(27)16-31-20-11-9-17(10-12-20)13-21(22(28)29)26-23(30)32-15-18-7-5-4-6-8-18/h4-12,19,21,25,27H,13-16H2,1-3H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004056
PNG
((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004068
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-phenyl-propox...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCc2ccccc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H27NO5/c28-25(29)24(27-26(30)32-19-22-10-5-2-6-11-22)18-21-13-15-23(16-14-21)31-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,27,30)(H,28,29)/t24-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004060
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004059
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O5/c1-24(2,3)25-14-7-15-30-20-12-10-18(11-13-20)16-21(22(27)28)26-23(29)31-17-19-8-5-4-6-9-19/h4-6,8-13,21,25H,7,14-17H2,1-3H3,(H,26,29)(H,27,28)/t21-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004072
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O6/c1-24(2,3)25-14-19(27)16-31-20-11-9-17(10-12-20)13-21(22(28)29)26-23(30)32-15-18-7-5-4-6-8-18/h4-12,19,21,25,27H,13-16H2,1-3H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004070
PNG
((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H30N2O5/c24-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(26)27)25-23(28)30-17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,28)(H,26,27)/t21-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50004072
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H32N2O6/c1-24(2,3)25-14-19(27)16-31-20-11-9-17(10-12-20)13-21(22(28)29)26-23(30)32-15-18-7-5-4-6-8-18/h4-12,19,21,25,27H,13-16H2,1-3H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human umbilical vein endothelial cell adhesion to vitronectin


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair