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PubMed code 11909727

Compile data set for download or QSAR
Found 35 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))
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111430
PNG
(CHEMBL12953 | [3-(2-Pyridin-4-yl-2,8-diaza-spiro[4...)
Show SMILES OC(=O)COc1cccc(c1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H25N3O4/c26-20(27)15-29-19-3-1-2-17(14-19)21(28)24-11-6-22(7-12-24)8-13-25(16-22)18-4-9-23-10-5-18/h1-5,9-10,14H,6-8,11-13,15-16H2,(H,26,27)
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n/an/a 873n/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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111417
PNG
(CHEMBL430156 | {Methyl-[1-(2-pyridin-4-yl-2,8-diaz...)
Show SMILES CN(CC(O)=O)C1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H33N5O3/c1-24(16-20(28)29)18-4-11-25(12-5-18)21(30)26-13-6-22(7-14-26)8-15-27(17-22)19-2-9-23-10-3-19/h2-3,9-10,18H,4-8,11-17H2,1H3,(H,28,29)
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n/an/a 1.20E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111413
PNG
(4-Oxo-4-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CCC(=O)N1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H31N5O4/c28-19(1-2-20(29)30)24-13-15-26(16-14-24)21(31)25-10-5-22(6-11-25)7-12-27(17-22)18-3-8-23-9-4-18/h3-4,8-9H,1-2,5-7,10-17H2,(H,29,30)
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n/an/a 1.50E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111420
PNG
(3-[5-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-...)
Show SMILES OC(=O)CCn1ccc2cc(ccc12)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C25H28N4O3/c30-23(31)6-13-27-12-5-19-17-20(1-2-22(19)27)24(32)28-14-7-25(8-15-28)9-16-29(18-25)21-3-10-26-11-4-21/h1-5,10-12,17H,6-9,13-16,18H2,(H,30,31)
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n/an/a 1.80E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111408
PNG
(1-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-car...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C20H28N4O3/c25-18(26)16-3-10-22(11-4-16)19(27)23-12-5-20(6-13-23)7-14-24(15-20)17-1-8-21-9-2-17/h1-2,8-9,16H,3-7,10-15H2,(H,25,26)
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n/an/a 4.20E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111422
PNG
(5-[(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-ca...)
Show SMILES OC(=O)CCCCNC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C19H28N4O3/c24-17(25)3-1-2-9-21-18(26)22-12-6-19(7-13-22)8-14-23(15-19)16-4-10-20-11-5-16/h4-5,10-11H,1-3,6-9,12-15H2,(H,21,26)(H,24,25)
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n/an/a 1.19E+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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111410
PNG
(3-[(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-ca...)
Show SMILES OC(=O)CCNC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C17H24N4O3/c22-15(23)3-9-19-16(24)20-10-4-17(5-11-20)6-12-21(13-17)14-1-7-18-8-2-14/h1-2,7-8H,3-6,9-13H2,(H,19,24)(H,22,23)
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n/an/a 2.89E+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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111416
PNG
(4-[(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-ca...)
Show SMILES OC(=O)CCCNC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C18H26N4O3/c23-16(24)2-1-8-20-17(25)21-11-5-18(6-12-21)7-13-22(14-18)15-3-9-19-10-4-15/h3-4,9-10H,1-2,5-8,11-14H2,(H,20,25)(H,23,24)
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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 activity to block the binding of fibrinogen to purified human fibrinogen receptor.


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


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111426
PNG
(6-[(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-ca...)
Show SMILES OC(=O)CCCCCNC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C20H30N4O3/c25-18(26)4-2-1-3-10-22-19(27)23-13-7-20(8-14-23)9-15-24(16-20)17-5-11-21-12-6-17/h5-6,11-12H,1-4,7-10,13-16H2,(H,22,27)(H,25,26)
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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 activity to block the binding of fibrinogen to purified human fibrinogen receptor.


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


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50111402
PNG
(6-Oxo-6-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-...)
Show SMILES OC(=O)CCCCC(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C19H27N3O3/c23-17(3-1-2-4-18(24)25)22-14-9-19(15-22)7-12-21(13-8-19)16-5-10-20-11-6-16/h5-6,10-11H,1-4,7-9,12-15H2,(H,24,25)
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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 activity to block the binding of fibrinogen to purified human fibrinogen receptor.


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


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%