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PubMed code 10987423

Compile data set for download or QSAR
Found 83 hits of Enzyme Inhibition Constant Data   
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-IIb/beta-3


(Homo sapiens (Human))		BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058239
PNG
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091729
PNG
((S)-4-Hydroxy-3-{[3-oxo-2-(2-piperidin-4-yl-ethyl)...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O5/c24-12-16(10-18(25)26)22-19(27)14-1-2-15-11-23(20(28)17(15)9-14)8-5-13-3-6-21-7-4-13/h1-2,9,13,16,21,24H,3-8,10-12H2,(H,22,27)(H,25,26)/t16-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091735
PNG
((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091731
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091733
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091738
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091728
PNG
((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091744
PNG
((S)-3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-a...)
Show SMILES OC(=O)C[C@H](NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C25H30N4O4/c30-23(28-22(14-24(31)32)20-5-2-10-27-15-20)16-29(21-6-7-21)25(33)19-4-1-3-18(13-19)17-8-11-26-12-9-17/h1-5,10,13,15,17,21-22,26H,6-9,11-12,14,16H2,(H,28,30)(H,31,32)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091737
PNG
((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054531
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C23H27N5O4/c29-21(26-20(13-22(30)31)17-2-1-6-25-14-17)15-28-9-5-16-3-4-18(12-19(16)23(28)32)27-10-7-24-8-11-27/h1-4,6,12,14,20,24H,5,7-11,13,15H2,(H,26,29)(H,30,31)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091740
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091734
PNG
(3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-amino...)
Show SMILES OC(=O)CC(NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)C#C
Show InChI InChI=1S/C22H27N3O4/c1-2-18(13-21(27)28)24-20(26)14-25(19-6-7-19)22(29)17-5-3-4-16(12-17)15-8-10-23-11-9-15/h1,3-5,12,15,18-19,23H,6-11,13-14H2,(H,24,26)(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054538
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C
Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091739
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(13-18(24)25)21-17(23)12-15-4-3-10-22(19(15)26)11-7-14-5-8-20-9-6-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091730
PNG
((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091745
PNG
((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...)
Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1
Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091732
PNG
((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091743
PNG
((S)-2-Benzenesulfonylamino-3-[2-(1-oxo-7-piperazin...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(26-15-21(24(32)33)27-36(34,35)19-4-2-1-3-5-19)16-29-11-8-17-6-7-18(14-20(17)23(29)31)28-12-9-25-10-13-28/h1-7,14,21,25,27H,8-13,15-16H2,(H,26,30)(H,32,33)/t21-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091742
PNG
(3-Ethynyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-ethyl)-...)
Show SMILES OC(=O)CC(CCCN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C20H32N2O3/c1-2-16(15-19(23)24)5-3-13-22-14-4-6-18(20(22)25)8-7-17-9-11-21-12-10-17/h1,16-18,21H,3-15H2,(H,23,24)/t16?,18-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091746
PNG
((E)-(R)-3-Methyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-...)
Show SMILES C[C@H](CC(O)=O)\C=C\CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C19H32N2O3/c1-15(14-18(22)23)4-2-12-21-13-3-5-17(19(21)24)7-6-16-8-10-20-11-9-16/h2,4,15-17,20H,3,5-14H2,1H3,(H,22,23)/b4-2+/t15-,17-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091736
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES CC(CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O4/c1-13(10-18(24)25)22-19(26)15-2-3-16-12-23(20(27)17(16)11-15)9-6-14-4-7-21-8-5-14/h2-3,11,13-14,21H,4-10,12H2,1H3,(H,22,26)(H,24,25)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091741
PNG
((S)-4-Hydroxy-3-[2-(1-oxo-7-piperazin-1-yl-3,4-dih...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054525
PNG
(3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-isoqui...)
Show SMILES OC(=O)CCNC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C18H24N4O4/c23-16(20-5-3-17(24)25)12-22-8-4-13-1-2-14(11-15(13)18(22)26)21-9-6-19-7-10-21/h1-2,11,19H,3-10,12H2,(H,20,23)(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058240
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1
Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091739
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(13-18(24)25)21-17(23)12-15-4-3-10-22(19(15)26)11-7-14-5-8-20-9-6-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16-/m1/s1
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n/an/an/a 6.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091745
PNG
((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...)
Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1
Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/s1
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n/an/an/a 84n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091746
PNG
((E)-(R)-3-Methyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-...)
Show SMILES C[C@H](CC(O)=O)\C=C\CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C19H32N2O3/c1-15(14-18(22)23)4-2-12-21-13-3-5-17(19(21)24)7-6-16-8-10-20-11-9-16/h2,4,15-17,20H,3,5-14H2,1H3,(H,22,23)/b4-2+/t15-,17-/m0/s1
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n/an/an/a 12n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091729
PNG
((S)-4-Hydroxy-3-{[3-oxo-2-(2-piperidin-4-yl-ethyl)...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O5/c24-12-16(10-18(25)26)22-19(27)14-1-2-15-11-23(20(28)17(15)9-14)8-5-13-3-6-21-7-4-13/h1-2,9,13,16,21,24H,3-8,10-12H2,(H,22,27)(H,25,26)/t16-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091728
PNG
((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/m0/s1
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n/an/an/a 0.780n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091729
PNG
((S)-4-Hydroxy-3-{[3-oxo-2-(2-piperidin-4-yl-ethyl)...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O5/c24-12-16(10-18(25)26)22-19(27)14-1-2-15-11-23(20(28)17(15)9-14)8-5-13-3-6-21-7-4-13/h1-2,9,13,16,21,24H,3-8,10-12H2,(H,22,27)(H,25,26)/t16-/m0/s1
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n/an/an/a 47n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
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n/an/an/a 0.0900n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091737
PNG
((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054525
PNG
(3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-isoqui...)
Show SMILES OC(=O)CCNC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C18H24N4O4/c23-16(20-5-3-17(24)25)12-22-8-4-13-1-2-14(11-15(13)18(22)26)21-9-6-19-7-10-21/h1-2,11,19H,3-10,12H2,(H,20,23)(H,24,25)
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n/an/an/a 9.70n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091743
PNG
((S)-2-Benzenesulfonylamino-3-[2-(1-oxo-7-piperazin...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(26-15-21(24(32)33)27-36(34,35)19-4-2-1-3-5-19)16-29-11-8-17-6-7-18(14-20(17)23(29)31)28-12-9-25-10-13-28/h1-7,14,21,25,27H,8-13,15-16H2,(H,26,30)(H,32,33)/t21-/m0/s1
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n/an/an/a 13n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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n/an/an/a 13n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091742
PNG
(3-Ethynyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-ethyl)-...)
Show SMILES OC(=O)CC(CCCN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C20H32N2O3/c1-2-16(15-19(23)24)5-3-13-22-14-4-6-18(20(22)25)8-7-17-9-11-21-12-10-17/h1,16-18,21H,3-15H2,(H,23,24)/t16?,18-/m0/s1
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n/an/an/a 3.10E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091732
PNG
((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1
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n/an/an/a 0.780n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091730
PNG
((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1
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n/an/an/a 60n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058240
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1
Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)
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n/an/an/a 46n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091742
PNG
(3-Ethynyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-ethyl)-...)
Show SMILES OC(=O)CC(CCCN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C20H32N2O3/c1-2-16(15-19(23)24)5-3-13-22-14-4-6-18(20(22)25)8-7-17-9-11-21-12-10-17/h1,16-18,21H,3-15H2,(H,23,24)/t16?,18-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091737
PNG
((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1
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n/an/an/a 0.160n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/a 1.90n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091740
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091736
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES CC(CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O4/c1-13(10-18(24)25)22-19(26)15-2-3-16-12-23(20(27)17(16)11-15)9-6-14-4-7-21-8-5-14/h2-3,11,13-14,21H,4-10,12H2,1H3,(H,22,26)(H,24,25)
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n/an/an/a 64n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50078448
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
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n/an/an/a 120n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091736
PNG
(3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...)
Show SMILES CC(CC(O)=O)NC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1
Show InChI InChI=1S/C20H27N3O4/c1-13(10-18(24)25)22-19(26)15-2-3-16-12-23(20(27)17(16)11-15)9-6-14-4-7-21-8-5-14/h2-3,11,13-14,21H,4-10,12H2,1H3,(H,22,26)(H,24,25)
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n/an/an/a 49n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091740
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1
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n/an/an/a 0.860n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091734
PNG
(3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-amino...)
Show SMILES OC(=O)CC(NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)C#C
Show InChI InChI=1S/C22H27N3O4/c1-2-18(13-21(27)28)24-20(26)14-25(19-6-7-19)22(29)17-5-3-4-16(12-17)15-8-10-23-11-9-15/h1,3-5,12,15,18-19,23H,6-11,13-14H2,(H,24,26)(H,27,28)
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n/an/an/a 120n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 4.5n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091735
PNG
((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/s1
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n/an/an/a 3.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091744
PNG
((S)-3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-a...)
Show SMILES OC(=O)C[C@H](NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C25H30N4O4/c30-23(28-22(14-24(31)32)20-5-2-10-27-15-20)16-29(21-6-7-21)25(33)19-4-1-3-18(13-19)17-8-11-26-12-9-17/h1-5,10,13,15,17,21-22,26H,6-9,11-12,14,16H2,(H,28,30)(H,31,32)/t22-/m0/s1
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n/an/an/a 23n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091733
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/m0/s1
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n/an/an/a 0.0560n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091733
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/m0/s1
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n/an/an/a 1.30n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091738
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/m0/s1
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n/an/an/a 84n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054531
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C23H27N5O4/c29-21(26-20(13-22(30)31)17-2-1-6-25-14-17)15-28-9-5-16-3-4-18(12-19(16)23(28)32)27-10-7-24-8-11-27/h1-4,6,12,14,20,24H,5,7-11,13,15H2,(H,26,29)(H,30,31)/t20-/m0/s1
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n/an/an/a 0.25n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054538
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C
Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/m1/s1
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n/an/an/a 50n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058239
PNG
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1
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n/an/an/a 0.0800n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054531
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C23H27N5O4/c29-21(26-20(13-22(30)31)17-2-1-6-25-14-17)15-28-9-5-16-3-4-18(12-19(16)23(28)32)27-10-7-24-8-11-27/h1-4,6,12,14,20,24H,5,7-11,13,15H2,(H,26,29)(H,30,31)/t20-/m0/s1
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n/an/an/a 3.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/a 13n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091731
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1
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n/an/an/a 0.300n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091746
PNG
((E)-(R)-3-Methyl-6-[(R)-2-oxo-3-(2-piperidin-4-yl-...)
Show SMILES C[C@H](CC(O)=O)\C=C\CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C19H32N2O3/c1-15(14-18(22)23)4-2-12-21-13-3-5-17(19(21)24)7-6-16-8-10-20-11-9-16/h2,4,15-17,20H,3,5-14H2,1H3,(H,22,23)/b4-2+/t15-,17-/m0/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091745
PNG
((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...)
Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1
Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/s1
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n/an/an/a 2.20n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091739
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)C#C
Show InChI InChI=1S/C19H29N3O4/c1-2-16(13-18(24)25)21-17(23)12-15-4-3-10-22(19(15)26)11-7-14-5-8-20-9-6-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16-/m1/s1
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n/an/an/a 0.340n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091730
PNG
((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1
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n/an/an/a 0.260n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
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n/an/an/a 2.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091728
PNG
((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50054538
PNG
((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C
Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/m1/s1
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n/an/an/a 0.560n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091744
PNG
((S)-3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-a...)
Show SMILES OC(=O)C[C@H](NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C25H30N4O4/c30-23(28-22(14-24(31)32)20-5-2-10-27-15-20)16-29(21-6-7-21)25(33)19-4-1-3-18(13-19)17-8-11-26-12-9-17/h1-5,10,13,15,17,21-22,26H,6-9,11-12,14,16H2,(H,28,30)(H,31,32)/t22-/m0/s1
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n/an/an/a 0.770n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091741
PNG
((S)-4-Hydroxy-3-[2-(1-oxo-7-piperazin-1-yl-3,4-dih...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091732
PNG
((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...)
Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1
Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1
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n/an/an/a 340n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091738
PNG
((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/m0/s1
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n/an/an/a 0.380n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058239
PNG
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1
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n/an/an/a 1.10n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091731
PNG
((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1
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n/an/an/a 11n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091743
PNG
((S)-2-Benzenesulfonylamino-3-[2-(1-oxo-7-piperazin...)
Show SMILES OC(=O)[C@H](CNC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(26-15-21(24(32)33)27-36(34,35)19-4-2-1-3-5-19)16-29-11-8-17-6-7-18(14-20(17)23(29)31)28-12-9-25-10-13-28/h1-7,14,21,25,27H,8-13,15-16H2,(H,26,30)(H,32,33)/t21-/m0/s1
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n/an/an/a 6.70n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091741
PNG
((S)-4-Hydroxy-3-[2-(1-oxo-7-piperazin-1-yl-3,4-dih...)
Show SMILES OC[C@H](CC(O)=O)NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091734
PNG
(3-{2-[Cyclopropyl-(3-piperidin-4-yl-benzoyl)-amino...)
Show SMILES OC(=O)CC(NC(=O)CN(C1CC1)C(=O)c1cccc(c1)C1CCNCC1)C#C
Show InChI InChI=1S/C22H27N3O4/c1-2-18(13-21(27)28)24-20(26)14-25(19-6-7-19)22(29)17-5-3-4-16(12-17)15-8-10-23-11-9-15/h1,3-5,12,15,18-19,23H,6-11,13-14H2,(H,24,26)(H,27,28)
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n/an/an/a 0.850n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50033030
PNG
((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...)
Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O
Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
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n/an/an/a 640n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058240
PNG
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)
Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1
Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25)
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n/an/an/a 680n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50091735
PNG
((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/s1
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n/an/an/a 0.25n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.

Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%