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Compile Data Set for Download or QSAR

Found 57 hits from COR Therapeutics, Inc   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin 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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
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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n/an/a 2n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
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)


Article DOI: 10.1016/s0960-894x(01)00215-3
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100371
PNG
((S)-2-Amino-3-[(3-pyridin-4-yl-3-aza-spiro[5.5]und...)
Show SMILES N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C19H28N4O3/c20-16(18(25)26)13-22-17(24)14-1-5-19(6-2-14)7-11-23(12-8-19)15-3-9-21-10-4-15/h3-4,9-10,14,16H,1-2,5-8,11-13,20H2,(H,22,24)(H,25,26)/t16-/m0/s1
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n/an/a 830n/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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100357
PNG
(8-Oxo-8-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-...)
Show SMILES OC(=O)CCCCCCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C22H33N3O3/c26-20(5-3-1-2-4-6-21(27)28)25-17-11-22(12-18-25)9-15-24(16-10-22)19-7-13-23-14-8-19/h7-8,13-14H,1-6,9-12,15-18H2,(H,27,28)
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n/an/a 1.16E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100379
PNG
(3-[9-([4,4']Bipiperidinyl-1-carbonyl)-3-aza-spiro[...)
Show SMILES OC(=O)CC(=O)N1CCC2(CCC(CC2)C(=O)N2CCC(CC2)C2CCNCC2)CC1
Show InChI InChI=1S/C24H39N3O4/c28-21(17-22(29)30)26-15-9-24(10-16-26)7-1-20(2-8-24)23(31)27-13-5-19(6-14-27)18-3-11-25-12-4-18/h18-20,25H,1-17H2,(H,29,30)
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n/an/a 2.40E+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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100364
PNG
(3-[9-(4-Pyridin-4-yl-piperazine-1-carbonyl)-3-aza-...)
Show SMILES OC(=O)CCN1CCC2(CCC(CC2)C(=O)N2CCN(CC2)c2ccncc2)CC1
Show InChI InChI=1S/C23H34N4O3/c28-21(29)5-12-25-13-8-23(9-14-25)6-1-19(2-7-23)22(30)27-17-15-26(16-18-27)20-3-10-24-11-4-20/h3-4,10-11,19H,1-2,5-9,12-18H2,(H,28,29)
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n/an/a 3.45E+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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100345
PNG
(5-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)CC1
Show InChI InChI=1S/C22H30N4O4/c23-20(24)16-4-6-17(7-5-16)21(30)26-14-10-22(11-15-26)8-12-25(13-9-22)18(27)2-1-3-19(28)29/h4-7H,1-3,8-15H2,(H3,23,24)(H,28,29)
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n/an/a 3.50E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100377
PNG
(4-{[3-(4-Carbamimidoyl-phenyl)-3-aza-spiro[5.5]und...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCC(CC2)C(=O)NCCCC(O)=O)CC1
Show InChI InChI=1S/C22H32N4O3/c23-20(24)16-3-5-18(6-4-16)26-14-11-22(12-15-26)9-7-17(8-10-22)21(29)25-13-1-2-19(27)28/h3-6,17H,1-2,7-15H2,(H3,23,24)(H,25,29)(H,27,28)
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n/an/a 5.00E+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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100349
PNG
(3-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CC(O)=O)CC1
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-1-3-15(4-2-14)19(28)24-11-7-20(8-12-24)5-9-23(10-6-20)16(25)13-17(26)27/h1-4H,5-13H2,(H3,21,22)(H,26,27)
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n/an/a 9.70E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100359
PNG
(CHEMBL24718 | {[3-(4-Carbamimidoyl-benzoyl)-3-aza-...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCC(CC2)C(=O)NCC(O)=O)CC1
Show InChI InChI=1S/C21H28N4O4/c22-18(23)14-1-3-16(4-2-14)20(29)25-11-9-21(10-12-25)7-5-15(6-8-21)19(28)24-13-17(26)27/h1-4,15H,5-13H2,(H3,22,23)(H,24,28)(H,26,27)
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n/an/a 9.70E+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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100348
PNG
(4-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CCC(O)=O)CC1
Show InChI InChI=1S/C21H28N4O4/c22-19(23)15-1-3-16(4-2-15)20(29)25-13-9-21(10-14-25)7-11-24(12-8-21)17(26)5-6-18(27)28/h1-4H,5-14H2,(H3,22,23)(H,27,28)
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n/an/a 1.50E+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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100367
PNG
(3-(4-Carbamimidoyl-benzoyl)-3-aza-spiro[5.5]undeca...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCC(CC2)C(O)=O)CC1
Show InChI InChI=1S/C19H25N3O3/c20-16(21)13-1-3-14(4-2-13)17(23)22-11-9-19(10-12-22)7-5-15(6-8-19)18(24)25/h1-4,15H,5-12H2,(H3,20,21)(H,24,25)
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n/an/a 1.50E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100375
PNG
((R)-3-Phenyl-3-[(3-pyridin-4-yl-3-aza-spiro[5.5]un...)
Show SMILES OC(=O)C[C@@H](NC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H31N3O3/c29-23(30)18-22(19-4-2-1-3-5-19)27-24(31)20-6-10-25(11-7-20)12-16-28(17-13-25)21-8-14-26-15-9-21/h1-5,8-9,14-15,20,22H,6-7,10-13,16-18H2,(H,27,31)(H,29,30)/t22-/m1/s1
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n/an/a 3.00E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100366
PNG
(3-(3-Pyridin-4-yl-3-aza-spiro[5.5]undec-9-ylamino)...)
Show SMILES OC(=O)CCNC1CCC2(CC1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C18H27N3O2/c22-17(23)5-12-20-15-1-6-18(7-2-15)8-13-21(14-9-18)16-3-10-19-11-4-16/h3-4,10-11,15,20H,1-2,5-9,12-14H2,(H,22,23)
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n/an/a 5.00E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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>1.00E+5n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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n/an/a>1.00E+5n/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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50100354
PNG
(6-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CCCCC(O)=O)CC1
Show InChI InChI=1S/C23H32N4O4/c24-21(25)17-5-7-18(8-6-17)22(31)27-15-11-23(12-16-27)9-13-26(14-10-23)19(28)3-1-2-4-20(29)30/h5-8H,1-4,9-16H2,(H3,24,25)(H,29,30)
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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100378
PNG
(4-[9-([4,4']Bipiperidinyl-1-carbonyl)-3-aza-spiro[...)
Show SMILES OC(=O)CCC(=O)N1CCC2(CCC(CC2)C(=O)N2CCC(CC2)C2CCNCC2)CC1
Show InChI InChI=1S/C25H41N3O4/c29-22(1-2-23(30)31)27-17-11-25(12-18-27)9-3-21(4-10-25)24(32)28-15-7-20(8-16-28)19-5-13-26-14-6-19/h19-21,26H,1-18H2,(H,30,31)
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n/an/a 1.00E+5n/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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100354
PNG
(6-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CCCCC(O)=O)CC1
Show InChI InChI=1S/C23H32N4O4/c24-21(25)17-5-7-18(8-6-17)22(31)27-15-11-23(12-16-27)9-13-26(14-10-23)19(28)3-1-2-4-20(29)30/h5-8H,1-4,9-16H2,(H3,24,25)(H,29,30)
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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100361
PNG
(5-[9-([4,4']Bipiperidinyl-1-carbonyl)-3-aza-spiro[...)
Show SMILES OC(=O)CCCC(=O)N1CCC2(CCC(CC2)C(=O)N2CCC(CC2)C2CCNCC2)CC1
Show InChI InChI=1S/C26H43N3O4/c30-23(2-1-3-24(31)32)28-18-12-26(13-19-28)10-4-22(5-11-26)25(33)29-16-8-21(9-17-29)20-6-14-27-15-7-20/h20-22,27H,1-19H2,(H,31,32)
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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)


Article DOI: 10.1016/s0960-894x(01)00216-5
BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50100345
PNG
(5-[9-(4-Carbamimidoyl-benzoyl)-3,9-diaza-spiro[5.5...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)CC1
Show InChI InChI=1S/C22H30N4O4/c23-20(24)16-4-6-17(7-5-16)21(30)26-14-10-22(11-15-26)8-12-25(13-9-22)18(27)2-1-3-19(28)29/h4-7H,1-3,8-15H2,(H3,23,24)(H,28,29)
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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
Integrin beta-3/Vitronectin receptor alpha


(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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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)


Article DOI: 10.1016/s0960-894x(01)00215-3
BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
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