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USPatent US9345793

Compile data set for download or QSAR
Found 20 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))		BDBM228638
PNG
(US9345793, 19 | US9744252, Example 19)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(CCc2cccc(OCCF)c2)c1 |r|
Show InChI InChI=1S/C32H43FN4O5/c33-12-16-42-28-5-1-3-24(18-28)6-7-25-17-27(21-35-20-25)29(19-31(39)40)36-32(41)26-4-2-15-37(22-26)30(38)9-8-23-10-13-34-14-11-23/h1,3,5,17-18,20-21,23,26,29,34H,2,4,6-16,19,22H2,(H,36,41)(H,39,40)/t26-,29+/m1/s1
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n/an/a 3n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228637
PNG
(US9345793, 18 | US9744252, Example 18)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(CCc2ccc(OCCF)cc2)c1 |r|
Show InChI InChI=1S/C32H43FN4O5/c33-13-17-42-28-8-5-23(6-9-28)3-4-25-18-27(21-35-20-25)29(19-31(39)40)36-32(41)26-2-1-16-37(22-26)30(38)10-7-24-11-14-34-15-12-24/h5-6,8-9,18,20-21,24,26,29,34H,1-4,7,10-17,19,22H2,(H,36,41)(H,39,40)/t26-,29+/m1/s1
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n/an/a 3n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228634
PNG
(US9345793, 15 | US9744252, Example 15)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)C#Cc1ccc(OCCF)cc1 |r|
Show InChI InChI=1S/C32H39FN4O5/c33-13-17-42-28-8-5-23(6-9-28)3-4-25-18-27(21-35-20-25)29(19-31(39)40)36-32(41)26-2-1-16-37(22-26)30(38)10-7-24-11-14-34-15-12-24/h5-6,8-9,18,20-21,24,26,29,34H,1-2,7,10-17,19,22H2,(H,36,41)(H,39,40)/t26-,29+/m1/s1
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n/an/a 5n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228635
PNG
(US9345793, 16 | US9744252, Example 16)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)C#Cc1cccc(OCCF)c1 |r|
Show InChI InChI=1S/C32H39FN4O5/c33-12-16-42-28-5-1-3-24(18-28)6-7-25-17-27(21-35-20-25)29(19-31(39)40)36-32(41)26-4-2-15-37(22-26)30(38)9-8-23-10-13-34-14-11-23/h1,3,5,17-18,20-21,23,26,29,34H,2,4,8-16,19,22H2,(H,36,41)(H,39,40)/t26-,29+/m1/s1
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n/an/a 6n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228639
PNG
(US9345793, 20 | US9744252, Example 20)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(C=Cc2cccc(OCCF)c2)c1 |r,w:30.32|
Show InChI InChI=1S/C32H41FN4O5/c33-12-16-42-28-5-1-3-24(18-28)6-7-25-17-27(21-35-20-25)29(19-31(39)40)36-32(41)26-4-2-15-37(22-26)30(38)9-8-23-10-13-34-14-11-23/h1,3,5-7,17-18,20-21,23,26,29,34H,2,4,8-16,19,22H2,(H,36,41)(H,39,40)/t26-,29+/m1/s1
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n/an/a 7n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228632
PNG
(US9345793, 13 | US9744252, Example 13)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(C#N)c(F)c2)c1 |r|
Show InChI InChI=1S/C30H36FN5O5/c31-26-12-21(3-5-22(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)23-2-1-11-36(18-23)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,23,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t23-,27+/m1/s1
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n/an/a 7n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228631
PNG
(US9345793, 12 | US9744252, Example 12)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(F)c(c2)C#N)c1 |r|
Show InChI InChI=1S/C30H36FN5O5/c31-26-5-3-21(12-23(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)22-2-1-11-36(18-22)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,22,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t22-,27+/m1/s1
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n/an/a 8n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228626
PNG
(US9345793, 7 | US9744252, Example 7)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(OCCF)cc1 |r|
Show InChI InChI=1S/C30H39FN4O5/c31-11-15-40-26-6-4-22(5-7-26)24-16-25(19-33-18-24)27(17-29(37)38)34-30(39)23-2-1-14-35(20-23)28(36)8-3-21-9-12-32-13-10-21/h4-7,16,18-19,21,23,27,32H,1-3,8-15,17,20H2,(H,34,39)(H,37,38)/t23-,27+/m1/s1
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n/an/a 11n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228627
PNG
(US9345793, 8 | US9744252, Example 8)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1OCCF |r|
Show InChI InChI=1S/C30H39FN4O5/c31-11-15-40-27-6-2-1-5-25(27)23-16-24(19-33-18-23)26(17-29(37)38)34-30(39)22-4-3-14-35(20-22)28(36)8-7-21-9-12-32-13-10-21/h1-2,5-6,16,18-19,21-22,26,32H,3-4,7-15,17,20H2,(H,34,39)(H,37,38)/t22-,26+/m1/s1
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n/an/a 14n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228630
PNG
(US9345793, 11 | US9744252, Example 11)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(F)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C28H34FN5O6/c29-23-5-4-19(13-25(23)34(39)40)21-12-22(16-31-15-21)24(14-27(36)37)32-28(38)20-2-1-11-33(17-20)26(35)6-3-18-7-9-30-10-8-18/h4-5,12-13,15-16,18,20,24,30H,1-3,6-11,14,17H2,(H,32,38)(H,36,37)/t20-,24+/m1/s1
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n/an/a 14n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228633
PNG
(US9345793, 14 | US9744252, Example 14)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1 |r|
Show InChI InChI=1S/C24H31FN4O4/c25-20-12-17(4-5-18(20)14-26)21(13-23(31)32)28-24(33)19-2-1-11-29(15-19)22(30)6-3-16-7-9-27-10-8-16/h4-5,12,16,19,21,27H,1-3,6-11,13,15H2,(H,28,33)(H,31,32)/t19-,21+/m1/s1
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n/an/a 15n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228629
PNG
(US9345793, 10 | US9744252, Example 10)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(C#N)c(F)c1 |r|
Show InChI InChI=1S/C29H34FN5O4/c30-25-13-20(4-5-21(25)15-31)23-12-24(17-33-16-23)26(14-28(37)38)34-29(39)22-2-1-11-35(18-22)27(36)6-3-19-7-9-32-10-8-19/h4-5,12-13,16-17,19,22,26,32H,1-3,6-11,14,18H2,(H,34,39)(H,37,38)/t22-,26+/m1/s1
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n/an/a 15n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228625
PNG
(US9345793, 6 | US9744252, Example 6)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1cccc(OCCF)c1 |r|
Show InChI InChI=1S/C30H39FN4O5/c31-10-14-40-26-5-1-3-22(16-26)24-15-25(19-33-18-24)27(17-29(37)38)34-30(39)23-4-2-13-35(20-23)28(36)7-6-21-8-11-32-12-9-21/h1,3,5,15-16,18-19,21,23,27,32H,2,4,6-14,17,20H2,(H,34,39)(H,37,38)/t23-,27+/m1/s1
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n/an/a 16n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228624
PNG
(US9345793, 5 | US9744252, Example 5)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCCOCCOCCF)c1 |r|
Show InChI InChI=1S/C28H43FN4O7/c29-7-11-38-12-13-39-14-15-40-24-16-23(18-31-19-24)25(17-27(35)36)32-28(37)22-2-1-10-33(20-22)26(34)4-3-21-5-8-30-9-6-21/h16,18-19,21-22,25,30H,1-15,17,20H2,(H,32,37)(H,35,36)/t22-,25+/m1/s1
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n/an/a 16n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228622
PNG
(US9345793, 3 | US9744252, Example 3)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCCF)c1 |r|
Show InChI InChI=1S/C24H35FN4O5/c25-7-11-34-20-12-19(14-27-15-20)21(13-23(31)32)28-24(33)18-2-1-10-29(16-18)22(30)4-3-17-5-8-26-9-6-17/h12,14-15,17-18,21,26H,1-11,13,16H2,(H,28,33)(H,31,32)/t18-,21+/m1/s1
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n/an/a 20n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228628
PNG
(US9345793, 9 | US9744252, Example 9)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(F)c(c1)C#N |r|
Show InChI InChI=1S/C29H34FN5O4/c30-25-5-4-20(12-22(25)15-31)23-13-24(17-33-16-23)26(14-28(37)38)34-29(39)21-2-1-11-35(18-21)27(36)6-3-19-7-9-32-10-8-19/h4-5,12-13,16-17,19,21,26,32H,1-3,6-11,14,18H2,(H,34,39)(H,37,38)/t21-,26+/m1/s1
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n/an/a 21n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228621
PNG
(US9345793, 2 | US9744252, Example 2)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(OCCF)cc1 |r|
Show InChI InChI=1S/C25H36FN3O5/c26-11-15-34-21-6-4-19(5-7-21)22(16-24(31)32)28-25(33)20-2-1-14-29(17-20)23(30)8-3-18-9-12-27-13-10-18/h4-7,18,20,22,27H,1-3,8-17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1
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PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228636
PNG
(US9345793, 17 | US9744252, Example 17)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cc(F)cc(c1)-c1ccc(OCCF)cc1 |r|
Show InChI InChI=1S/C31H39F2N3O5/c32-11-15-41-27-6-4-22(5-7-27)24-16-25(18-26(33)17-24)28(19-30(38)39)35-31(40)23-2-1-14-36(20-23)29(37)8-3-21-9-12-34-13-10-21/h4-7,16-18,21,23,28,34H,1-3,8-15,19-20H2,(H,35,40)(H,38,39)/t23-,28+/m1/s1
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n/an/a 35n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228623
PNG
(US9345793, 4 | US9744252, Example 4)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccc(OCCOCCOCCF)c1 |r|
Show InChI InChI=1S/C29H44FN3O7/c30-10-14-38-15-16-39-17-18-40-25-5-1-3-23(19-25)26(20-28(35)36)32-29(37)24-4-2-13-33(21-24)27(34)7-6-22-8-11-31-12-9-22/h1,3,5,19,22,24,26,31H,2,4,6-18,20-21H2,(H,32,37)(H,35,36)/t24-,26+/m1/s1
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n/an/a 84n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM228620
PNG
(US9345793, 1 | US9744252, Example 1)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccc(OCCF)c1 |r|
Show InChI InChI=1S/C25H36FN3O5/c26-10-14-34-21-5-1-3-19(15-21)22(16-24(31)32)28-25(33)20-4-2-13-29(17-20)23(30)7-6-18-8-11-27-12-9-18/h1,3,5,15,18,20,22,27H,2,4,6-14,16-17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1
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UniProtKB/SwissProt

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US Patent
n/an/a 101n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...

US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%