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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'ruhter' and Initial = 'g'   
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))
BDBM50100358
PNG
((S)-3-[(3-Pyridin-4-yl-3-aza-spiro[5.5]undecane-9-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C26H34N4O5S/c1-19-2-4-22(5-3-19)36(34,35)29-23(25(32)33)18-28-24(31)20-6-10-26(11-7-20)12-16-30(17-13-26)21-8-14-27-15-9-21/h2-5,8-9,14-15,20,23,29H,6-7,10-13,16-18H2,1H3,(H,28,31)(H,32,33)/t23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100346
PNG
((S)-2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-[...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C23H32N6O6S/c1-16-20(17(2)35-26-16)36(33,34)27-19(21(30)31)15-25-22(32)29-13-7-23(8-14-29)5-11-28(12-6-23)18-3-9-24-10-4-18/h3-4,9-10,19,27H,5-8,11-15H2,1-2H3,(H,25,32)(H,30,31)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092126
PNG
(2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-[(3-p...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H33N5O6S/c1-16-21(17(2)35-27-16)36(33,34)28-20(23(31)32)15-26-22(30)18-3-7-24(8-4-18)9-13-29(14-10-24)19-5-11-25-12-6-19/h5-6,11-12,18,20,28H,3-4,7-10,13-15H2,1-2H3,(H,26,30)(H,31,32)/t20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092105
PNG
((S)-2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-5-o...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H33N5O6S/c1-17-22(18(2)35-26-17)36(33,34)27-20(23(31)32)3-4-21(30)29-15-9-24(10-16-29)7-13-28(14-8-24)19-5-11-25-12-6-19/h5-6,11-12,20,27H,3-4,7-10,13-16H2,1-2H3,(H,31,32)/t20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100350
PNG
((S)-5-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]un...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C26H34N4O5S/c1-20-2-4-22(5-3-20)36(34,35)28-23(25(32)33)6-7-24(31)30-18-12-26(13-19-30)10-16-29(17-11-26)21-8-14-27-15-9-21/h2-5,8-9,14-15,23,28H,6-7,10-13,16-19H2,1H3,(H,32,33)/t23-/m0/s1
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COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111398
PNG
((S)-2-(Isoxazole-4-sulfonylamino)-5-oxo-5-(2-pyrid...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1)NS(=O)(=O)c1cnoc1
Show InChI InChI=1S/C21H27N5O6S/c27-19(2-1-18(20(28)29)24-33(30,31)17-13-23-32-14-17)25-10-5-21(6-11-25)7-12-26(15-21)16-3-8-22-9-4-16/h3-4,8-9,13-14,18,24H,1-2,5-7,10-12,15H2,(H,28,29)/t18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100365
PNG
((S)-2-Benzyloxycarbonylamino-3-[(3-pyridin-4-yl-3-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O5/c32-24(29-18-23(25(33)34)30-26(35)36-19-20-4-2-1-3-5-20)21-6-10-27(11-7-21)12-16-31(17-13-27)22-8-14-28-15-9-22/h1-5,8-9,14-15,21,23H,6-7,10-13,16-19H2,(H,29,32)(H,30,35)(H,33,34)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100360
PNG
((S)-2-(Butane-1-sulfonylamino)-3-[(3-pyridin-4-yl-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C23H36N4O5S/c1-2-3-16-33(31,32)26-20(22(29)30)17-25-21(28)18-4-8-23(9-5-18)10-14-27(15-11-23)19-6-12-24-13-7-19/h6-7,12-13,18,20,26H,2-5,8-11,14-17H2,1H3,(H,25,28)(H,29,30)/t20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100344
PNG
((S)-2-Butoxycarbonylamino-5-oxo-5-(9-pyridin-4-yl-...)
Show SMILES CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H36N4O5/c1-2-3-18-33-23(32)26-20(22(30)31)4-5-21(29)28-16-10-24(11-17-28)8-14-27(15-9-24)19-6-12-25-13-7-19/h6-7,12-13,20H,2-5,8-11,14-18H2,1H3,(H,26,32)(H,30,31)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111419
PNG
(3-Oxo-3-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CC(=O)N1CCC(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H30N4O4/c27-19(15-20(28)29)24-10-3-17(4-11-24)21(30)25-12-5-22(6-13-25)7-14-26(16-22)18-1-8-23-9-2-18/h1-2,8-9,17H,3-7,10-16H2,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100351
PNG
((S)-2-Benzyloxycarbonylamino-5-oxo-5-(9-pyridin-4-...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O5/c32-24(7-6-23(25(33)34)29-26(35)36-20-21-4-2-1-3-5-21)31-18-12-27(13-19-31)10-16-30(17-11-27)22-8-14-28-15-9-22/h1-5,8-9,14-15,23H,6-7,10-13,16-20H2,(H,29,35)(H,33,34)/t23-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100376
PNG
((S)-2-Butoxycarbonylamino-3-[(3-pyridin-4-yl-3-aza...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H36N4O5/c1-2-3-16-33-23(32)27-20(22(30)31)17-26-21(29)18-4-8-24(9-5-18)10-14-28(15-11-24)19-6-12-25-13-7-19/h6-7,12-13,18,20H,2-5,8-11,14-17H2,1H3,(H,26,29)(H,27,32)(H,30,31)/t20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111424
PNG
((S)-2-Butoxycarbonylamino-5-oxo-5-(2-pyridin-4-yl-...)
Show SMILES CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1)C(O)=O
Show InChI InChI=1S/C23H34N4O5/c1-2-3-16-32-22(31)25-19(21(29)30)4-5-20(28)26-13-8-23(9-14-26)10-15-27(17-23)18-6-11-24-12-7-18/h6-7,11-12,19H,2-5,8-10,13-17H2,1H3,(H,25,31)(H,29,30)/t19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111404
PNG
(3-[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-...)
Show SMILES OC(=O)CCN1CCC(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H32N4O3/c27-20(28)5-13-24-11-3-18(4-12-24)21(29)25-14-6-22(7-15-25)8-16-26(17-22)19-1-9-23-10-2-19/h1-2,9-10,18H,3-8,11-17H2,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100347
PNG
((S)-2-(Butane-1-sulfonylamino)-5-oxo-5-(9-pyridin-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C23H36N4O5S/c1-2-3-18-33(31,32)25-20(22(29)30)4-5-21(28)27-16-10-23(11-17-27)8-14-26(15-9-23)19-6-12-24-13-7-19/h6-7,12-13,20,25H,2-5,8-11,14-18H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111432
PNG
(CHEMBL12581 | [2-Oxo-4-(8-pyridin-4-yl-2,8-diaza-s...)
Show SMILES OC(=O)CN1CCN(CC1=O)C(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H27N5O4/c26-17-13-24(12-11-23(17)14-18(27)28)19(29)25-10-5-20(15-25)3-8-22(9-4-20)16-1-6-21-7-2-16/h1-2,6-7H,3-5,8-15H2,(H,27,28)
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n/an/a 25n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111401
PNG
((S)-2-Benzyloxycarbonylamino-5-oxo-5-(2-pyridin-4-...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H32N4O5/c31-23(7-6-22(24(32)33)28-25(34)35-18-20-4-2-1-3-5-20)29-15-10-26(11-16-29)12-17-30(19-26)21-8-13-27-14-9-21/h1-5,8-9,13-14,22H,6-7,10-12,15-19H2,(H,28,34)(H,32,33)/t22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111418
PNG
(3-Oxo-3-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CC(=O)N1CCCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H31N5O4/c28-19(16-20(29)30)24-9-1-10-25(15-14-24)21(31)26-11-4-22(5-12-26)6-13-27(17-22)18-2-7-23-8-3-18/h2-3,7-8H,1,4-6,9-17H2,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111428
PNG
(7-Oxo-7-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-...)
Show SMILES OC(=O)CCCCCC(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H29N3O3/c24-18(4-2-1-3-5-19(25)26)23-15-10-20(16-23)8-13-22(14-9-20)17-6-11-21-12-7-17/h6-7,11-12H,1-5,8-10,13-16H2,(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100352
PNG
(3-Oxo-3-[4-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]und...)
Show SMILES OC(=O)CC(=O)N1CCC(CC1)C(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C23H32N4O4/c28-20(17-21(29)30)26-11-3-18(4-12-26)22(31)27-15-7-23(8-16-27)5-13-25(14-6-23)19-1-9-24-10-2-19/h1-2,9-10,18H,3-8,11-17H2,(H,29,30)
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n/an/a 43n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111421
PNG
(CHEMBL417800 | [5-(2-Pyridin-4-yl-2,8-diaza-spiro[...)
Show SMILES OC(=O)Cn1ccc2cc(ccc12)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C24H26N4O3/c29-22(30)16-27-11-5-18-15-19(1-2-21(18)27)23(31)26-12-6-24(7-13-26)8-14-28(17-24)20-3-9-25-10-4-20/h1-5,9-11,15H,6-8,12-14,16-17H2,(H,29,30)
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n/an/a 47n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100363
PNG
(3-{[3-(4-Carbamimidoyl-phenyl)-3-aza-spiro[5.5]und...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCC(CC2)C(=O)NCCC(O)=O)CC1
Show InChI InChI=1S/C21H30N4O3/c22-19(23)15-1-3-17(4-2-15)25-13-10-21(11-14-25)8-5-16(6-9-21)20(28)24-12-7-18(26)27/h1-4,16H,5-14H2,(H3,22,23)(H,24,28)(H,26,27)
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n/an/a 60n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111405
PNG
(3-[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-...)
Show SMILES OC(=O)CCN1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H31N5O3/c27-19(28)3-9-23-13-15-25(16-14-23)20(29)24-10-4-21(5-11-24)6-12-26(17-21)18-1-7-22-8-2-18/h1-2,7-8H,3-6,9-17H2,(H,27,28)
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n/an/a 87n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111399
PNG
(CHEMBL275769 | [4-(2-Pyridin-4-yl-2,8-diaza-spiro[...)
Show SMILES OC(=O)CS(=O)(=O)N1CCC(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H30N4O5S/c26-19(27)15-31(29,30)25-10-3-17(4-11-25)20(28)23-12-5-21(6-13-23)7-14-24(16-21)18-1-8-22-9-2-18/h1-2,8-9,17H,3-7,10-16H2,(H,26,27)
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n/an/a 90n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111415
PNG
(CHEMBL275967 | [1-(2-Pyridin-4-yl-2,8-diaza-spiro[...)
Show SMILES OC(=O)COCC1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H32N4O4/c27-20(28)16-30-15-18-3-10-24(11-4-18)21(29)25-12-5-22(6-13-25)7-14-26(17-22)19-1-8-23-9-2-19/h1-2,8-9,18H,3-7,10-17H2,(H,27,28)
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n/an/a 106n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111427
PNG
(3-Oxo-3-[4-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CC(=O)N1CCC(CC1)C(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C22H30N4O4/c27-19(15-20(28)29)25-10-3-17(4-11-25)21(30)26-14-7-22(16-26)5-12-24(13-6-22)18-1-8-23-9-2-18/h1-2,8-9,17H,3-7,10-16H2,(H,28,29)
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n/an/a 113n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111429
PNG
(CHEMBL12878 | [1-(2-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)CC1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H30N4O3/c26-19(27)15-17-3-10-23(11-4-17)20(28)24-12-5-21(6-13-24)7-14-25(16-21)18-1-8-22-9-2-18/h1-2,8-9,17H,3-7,10-16H2,(H,26,27)
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n/an/a 115n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111412
PNG
(3-Oxo-3-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CC(=O)N1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H29N5O4/c27-18(15-19(28)29)23-11-13-25(14-12-23)20(30)24-8-3-21(4-9-24)5-10-26(16-21)17-1-6-22-7-2-17/h1-2,6-7H,3-5,8-16H2,(H,28,29)
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n/an/a 136n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111423
PNG
(CHEMBL12631 | [1-(2-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)COC1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H30N4O4/c26-19(27)15-29-18-3-10-23(11-4-18)20(28)24-12-5-21(6-13-24)7-14-25(16-21)17-1-8-22-9-2-17/h1-2,8-9,18H,3-7,10-16H2,(H,26,27)
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n/an/a 138n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111411
PNG
(CHEMBL13008 | [1-(8-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)COC1CCN(CC1)C(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C21H30N4O4/c26-19(27)15-29-18-3-10-24(11-4-18)20(28)25-14-7-21(16-25)5-12-23(13-6-21)17-1-8-22-9-2-17/h1-2,8-9,18H,3-7,10-16H2,(H,26,27)
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n/an/a 153n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100369
PNG
((3-Pyridin-4-yl-3-aza-spiro[5.5]undec-9-ylamino)-a...)
Show SMILES OC(=O)CNC1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C17H25N3O2/c21-16(22)13-19-14-1-5-17(6-2-14)7-11-20(12-8-17)15-3-9-18-10-4-15/h3-4,9-10,14,19H,1-2,5-8,11-13H2,(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100356
PNG
(3-[9-(4-Carbamimidoyl-phenyl)-3,9-diaza-spiro[5.5]...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CCC(O)=O)CC2)CC1
Show InChI InChI=1S/C19H28N4O2/c20-18(21)15-1-3-16(4-2-15)23-13-8-19(9-14-23)6-11-22(12-7-19)10-5-17(24)25/h1-4H,5-14H2,(H3,20,21)(H,24,25)
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n/an/a 160n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111409
PNG
(8-Oxo-8-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-...)
Show SMILES OC(=O)CCCCCCC(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C21H31N3O3/c25-19(5-3-1-2-4-6-20(26)27)24-16-11-21(17-24)9-14-23(15-10-21)18-7-12-22-13-8-18/h7-8,12-13H,1-6,9-11,14-17H2,(H,26,27)
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n/an/a 196n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100343
PNG
(2-{1-[9-(4-pyridyl)-3,9-diazaspiro[5.5]undec-3-ylc...)
Show SMILES OC(=O)COC1CCN(CC1)C(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C22H32N4O4/c27-20(28)17-30-19-3-11-25(12-4-19)21(29)26-15-7-22(8-16-26)5-13-24(14-6-22)18-1-9-23-10-2-18/h1-2,9-10,19H,3-8,11-17H2,(H,27,28)
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n/an/a 210n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111414
PNG
(3-[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-...)
Show SMILES CC(CC(O)=O)N1CCC(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C23H34N4O3/c1-18(16-21(28)29)25-11-4-19(5-12-25)22(30)26-13-6-23(7-14-26)8-15-27(17-23)20-2-9-24-10-3-20/h2-3,9-10,18-19H,4-8,11-17H2,1H3,(H,28,29)
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n/an/a 225n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111407
PNG
(3-[2-Oxo-4-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CCN1CCN(CC1=O)C(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C21H29N5O4/c27-18-15-25(14-13-24(18)9-3-19(28)29)20(30)26-12-6-21(16-26)4-10-23(11-5-21)17-1-7-22-8-2-17/h1-2,7-8H,3-6,9-16H2,(H,28,29)
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n/an/a 238n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100353
PNG
(5-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...)
Show SMILES OC(=O)CCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C19H27N3O3/c23-17(2-1-3-18(24)25)22-14-8-19(9-15-22)6-12-21(13-7-19)16-4-10-20-11-5-16/h4-5,10-11H,1-3,6-9,12-15H2,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100362
PNG
(CHEMBL24671 | [9-(4-Cyclohexyl-piperidine-1-carbon...)
Show SMILES OC(=O)CN1CCC2(CCC(CC2)C(=O)N2CCC(CC2)C2CCCCC2)CC1
Show InChI InChI=1S/C24H40N2O3/c27-22(28)18-25-16-12-24(13-17-25)10-6-21(7-11-24)23(29)26-14-8-20(9-15-26)19-4-2-1-3-5-19/h19-21H,1-18H2,(H,27,28)
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n/an/a 250n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100372
PNG
((3-Pyridin-4-yl-3-aza-spiro[5.5]undec-9-yloxy)-ace...)
Show SMILES OC(=O)COC1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C17H24N2O3/c20-16(21)13-22-15-1-5-17(6-2-15)7-11-19(12-8-17)14-3-9-18-10-4-14/h3-4,9-10,15H,1-2,5-8,11-13H2,(H,20,21)
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n/an/a 250n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111403
PNG
(CHEMBL13177 | [4-(2-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)CN1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C20H29N5O3/c26-18(27)15-22-11-13-24(14-12-22)19(28)23-8-3-20(4-9-23)5-10-25(16-20)17-1-6-21-7-2-17/h1-2,6-7H,3-5,8-16H2,(H,26,27)
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n/an/a 252n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111400
PNG
(3-[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-...)
Show SMILES OC(=O)CCN1CCCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H33N5O3/c28-20(29)4-12-24-10-1-11-25(17-16-24)21(30)26-13-5-22(6-14-26)7-15-27(18-22)19-2-8-23-9-3-19/h2-3,8-9H,1,4-7,10-18H2,(H,28,29)
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n/an/a 254n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100355
PNG
(6-Oxo-6-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...)
Show SMILES OC(=O)CCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H29N3O3/c24-18(3-1-2-4-19(25)26)23-15-9-20(10-16-23)7-13-22(14-8-20)17-5-11-21-12-6-17/h5-6,11-12H,1-4,7-10,13-16H2,(H,25,26)
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n/an/a 260n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against alphaV-beta3 integrin


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100342
PNG
(7-Oxo-7-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...)
Show SMILES OC(=O)CCCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C21H31N3O3/c25-19(4-2-1-3-5-20(26)27)24-16-10-21(11-17-24)8-14-23(15-9-21)18-6-12-22-13-7-18/h6-7,12-13H,1-5,8-11,14-17H2,(H,26,27)
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n/an/a 270n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100373
PNG
(4-[(3-Pyridin-4-yl-3-aza-spiro[5.5]undecane-9-carb...)
Show SMILES OC(=O)CCCNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H29N3O3/c24-18(25)2-1-11-22-19(26)16-3-7-20(8-4-16)9-14-23(15-10-20)17-5-12-21-13-6-17/h5-6,12-13,16H,1-4,7-11,14-15H2,(H,22,26)(H,24,25)
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n/an/a 319n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111431
PNG
(CHEMBL274835 | [4-(2-Pyridin-4-yl-2,8-diaza-spiro[...)
Show SMILES OC(=O)CN1CCC(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H30N4O3/c26-19(27)15-23-10-3-17(4-11-23)20(28)24-12-5-21(6-13-24)7-14-25(16-21)18-1-8-22-9-2-18/h1-2,8-9,17H,3-7,10-16H2,(H,26,27)
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n/an/a 320n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100370
PNG
(3-Methyl-4-[(3-pyridin-4-yl-3-aza-spiro[5.5]undeca...)
Show SMILES CC(CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)CC(O)=O
Show InChI InChI=1S/C21H31N3O3/c1-16(14-19(25)26)15-23-20(27)17-2-6-21(7-3-17)8-12-24(13-9-21)18-4-10-22-11-5-18/h4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3,(H,23,27)(H,25,26)
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n/an/a 332n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100374
PNG
(CHEMBL280622 | [9-(4-Pyridin-4-yl-piperazine-1-car...)
Show SMILES OC(=O)CN1CCC2(CCC(CC2)C(=O)N2CCN(CC2)c2ccncc2)CC1
Show InChI InChI=1S/C22H32N4O3/c27-20(28)17-24-11-7-22(8-12-24)5-1-18(2-6-22)21(29)26-15-13-25(14-16-26)19-3-9-23-10-4-19/h3-4,9-10,18H,1-2,5-8,11-17H2,(H,27,28)
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n/an/a 364n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111425
PNG
(CHEMBL273482 | N-[1-(2-Pyridin-4-yl-2,8-diaza-spir...)
Show SMILES OC(=O)CC(=O)NC1CCN(C1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C21H29N5O4/c27-18(13-19(28)29)23-16-3-9-25(14-16)20(30)24-10-4-21(5-11-24)6-12-26(15-21)17-1-7-22-8-2-17/h1-2,7-8,16H,3-6,9-15H2,(H,23,27)(H,28,29)
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n/an/a 447n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100368
PNG
((S)-3-[(3-Pyridin-4-yl-3-aza-spiro[5.5]undecane-9-...)
Show SMILES C[C@@H](CC(O)=O)NC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H29N3O3/c1-15(14-18(24)25)22-19(26)16-2-6-20(7-3-16)8-12-23(13-9-20)17-4-10-21-11-5-17/h4-5,10-11,15-16H,2-3,6-9,12-14H2,1H3,(H,22,26)(H,24,25)/t15-/m0/s1
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n/an/a 616n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111406
PNG
(CHEMBL12877 | [4-(2-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H25N3O4/c26-20(27)15-29-19-3-1-17(2-4-19)21(28)24-12-7-22(8-13-24)9-14-25(16-22)18-5-10-23-11-6-18/h1-6,10-11H,7-9,12-16H2,(H,26,27)
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n/an/a 688n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
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