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Compile Data Set for Download or QSAR

Found 412 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))
BDBM50369582
PNG
(CHEMBL114946 | DMP-728)
Show SMILES CCC1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2
Show InChI InChI=1S/C25H36N8O7/c1-3-16-24(40)33(2)18(8-5-9-28-25(26)27)23(39)30-13-19(34)31-17(11-20(35)36)22(38)29-12-14-6-4-7-15(10-14)21(37)32-16/h4,6-7,10,16-18H,3,5,8-9,11-13H2,1-2H3,(H,29,38)(H,30,39)(H,31,34)(H,32,37)(H,35,36)(H4,26,27,28)/t16?,17-,18-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for [3H]-DMP728 binding to alphaIIb beta III integrin


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103666
PNG
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(pyrroli...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c2ccccc2)c1
Show InChI InChI=1S/C26H26N4O3/c27-24(28)20-9-6-10-22(17-20)33-23(18-7-2-1-3-8-18)25(31)29-21-13-11-19(12-14-21)26(32)30-15-4-5-16-30/h1-3,6-14,17,23H,4-5,15-16H2,(H3,27,28)(H,29,31)
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n/an/a 0.180n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103665
PNG
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-(2'-sulfamo...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1
Show InChI InChI=1S/C27H24N4O4S/c28-26(29)20-9-6-10-22(17-20)35-25(19-7-2-1-3-8-19)27(32)31-21-15-13-18(14-16-21)23-11-4-5-12-24(23)36(30,33)34/h1-17,25H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 0.550n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103676
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-[4-(pyrrol...)
Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C20H22N4O4/c21-19(22)14-5-8-16(25)17(11-14)28-12-18(26)23-15-6-3-13(4-7-15)20(27)24-9-1-2-10-24/h3-8,11,25H,1-2,9-10,12H2,(H3,21,22)(H,23,26)
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n/an/a 0.700n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103684
PNG
(CHEMBL75333 | N-[2-Bromo-4-(pyrrolidine-1-carbonyl...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)C(=O)N2CCCC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25BrN4O3/c27-21-16-19(26(33)31-13-4-5-14-31)11-12-22(21)30-25(32)23(17-7-2-1-3-8-17)34-20-10-6-9-18(15-20)24(28)29/h1-3,6-12,15-16,23H,4-5,13-14H2,(H3,28,29)(H,30,32)
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n/an/a 0.990n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061849
PNG
((S)-2-Benzenesulfonylamino-3-{3-[(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N5O7S/c23-20(24)13-6-7-17-14(10-13)11-18(34-17)21(29)25-9-8-19(28)26-12-16(22(30)31)27-35(32,33)15-4-2-1-3-5-15/h1-7,10-11,16,27H,8-9,12H2,(H3,23,24)(H,25,29)(H,26,28)(H,30,31)/t16-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061839
PNG
(2-(Butane-1-sulfonylamino)-3-{3-[(6-carbamimidoyl-...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1c[nH]c2cc(ccc12)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H28N6O6S/c1-2-3-8-33(31,32)26-16(20(29)30)11-25-17(27)6-7-23-19(28)14-10-24-15-9-12(18(21)22)4-5-13(14)15/h4-5,9-10,16,24,26H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,28)(H,25,27)(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061847
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{3-[(5-carbamimid...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H27N5O7S/c1-2-3-8-33(30,31)25-14(20(28)29)11-24-17(26)6-7-23-19(27)16-10-13-9-12(18(21)22)4-5-15(13)32-16/h4-5,9-10,14,25H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)/t14-/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 activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061859
PNG
(2-(Butane-1-sulfonylamino)-3-{3-[(6-carbamimidoyl-...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1[nH]nc2cc(ccc12)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H27N7O6S/c1-2-3-8-33(31,32)26-14(19(29)30)10-23-15(27)6-7-22-18(28)16-12-5-4-11(17(20)21)9-13(12)24-25-16/h4-5,9,14,26H,2-3,6-8,10H2,1H3,(H3,20,21)(H,22,28)(H,23,27)(H,24,25)(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061840
PNG
((S)-3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C28H30N6O7S/c1-34(2)21-7-3-6-19-18(21)5-4-8-24(19)42(39,40)33-20(28(37)38)15-32-25(35)11-12-31-27(36)23-14-17-13-16(26(29)30)9-10-22(17)41-23/h3-10,13-14,20,33H,11-12,15H2,1-2H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/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
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061862
PNG
((S)-3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(O)=O
Show InChI InChI=1S/C22H22IN5O7S/c23-14-2-4-15(5-3-14)36(33,34)28-16(22(31)32)11-27-19(29)7-8-26-21(30)18-10-13-9-12(20(24)25)1-6-17(13)35-18/h1-6,9-10,16,28H,7-8,11H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/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 activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
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)


Article DOI: 10.1016/s0960-894x(02)00095-1
BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103671
PNG
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-(2'-sulfam...)
Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O5S/c22-21(23)14-7-10-17(26)18(11-14)30-12-20(27)25-15-8-5-13(6-9-15)16-3-1-2-4-19(16)31(24,28)29/h1-11,26H,12H2,(H3,22,23)(H,25,27)(H2,24,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50369582
PNG
(CHEMBL114946 | DMP-728)
Show SMILES CCC1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2
Show InChI InChI=1S/C25H36N8O7/c1-3-16-24(40)33(2)18(8-5-9-28-25(26)27)23(39)30-13-19(34)31-17(11-20(35)36)22(38)29-12-14-6-4-7-15(10-14)21(37)32-16/h4,6-7,10,16-18H,3,5,8-9,11-13H2,1-2H3,(H,29,38)(H,30,39)(H,31,34)(H,32,37)(H,35,36)(H4,26,27,28)/t16?,17-,18-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alpha IIb beta-3 integrin


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092095
PNG
(CHEMBL324568 | [16-Acetylamino-4-carbamoyl-13-(3-g...)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(C)=O)C1=O)C(N)=O
Show InChI InChI=1S/C21H35N9O8S2/c1-10(31)27-13-9-40-39-8-12(17(22)35)29-18(36)11(6-16(33)34)28-15(32)7-26-19(37)14(30(2)20(13)38)4-3-5-25-21(23)24/h11-14H,3-9H2,1-2H3,(H2,22,35)(H,26,37)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125]fibrinogen binding to alpha IIb beta-3 integrin


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50106064
PNG
((S)-2-(3-Carbamimidoyl-benzoyl)-1,2,3,4-tetrahydro...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H27N5O4S/c31-28(32)21-8-5-9-22(16-21)30(37)35-18-23-7-2-1-6-20(23)17-26(35)29(36)34-24-14-12-19(13-15-24)25-10-3-4-11-27(25)40(33,38)39/h1-16,26H,17-18H2,(H3,31,32)(H,34,36)(H2,33,38,39)/t26-/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 inhibition of human coagulation factor Xa.


Bioorg Med Chem Lett 11: 2947-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00585-6
BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103680
PNG
(CHEMBL75287 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-y...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1
Show InChI InChI=1S/C27H23BrN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35)
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n/an/a 3.20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092115
PNG
(2-Benzenesulfonylamino-3-{[2-(4-piperidin-4-yl-pip...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cnc(s1)N1CCN(CC1)C1CCNCC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H30N6O5S2/c29-20(24-14-18(21(30)31)26-35(32,33)17-4-2-1-3-5-17)19-15-25-22(34-19)28-12-10-27(11-13-28)16-6-8-23-9-7-16/h1-5,15-16,18,23,26H,6-14H2,(H,24,29)(H,30,31)/t18-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation in platelet rich plasma


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
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
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103667
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholi...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)c1
Show InChI InChI=1S/C25H25FN4O3/c26-21-16-19(9-10-22(21)30-11-13-32-14-12-30)29-25(31)23(17-5-2-1-3-6-17)33-20-8-4-7-18(15-20)24(27)28/h1-10,15-16,23H,11-14H2,(H3,27,28)(H,29,31)
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n/an/a 4.40n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103672
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(2,5-dihydro-pyrr...)
Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CC=CC2)c1
Show InChI InChI=1S/C20H20N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h1-9,12H,10-11,13H2,(H3,21,22)(H,23,25)
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n/an/a 6.30n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103681
PNG
(3-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(OCCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-22(24)16-4-3-5-18(14-16)30-13-12-21(27)26-17-10-8-15(9-11-17)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 6.40n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078433
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-22(25-14-18(23(28)29)26-34(30,31)17-4-2-1-3-5-17)21-13-20-19(33-21)12-16(32-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,18,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t18-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092117
PNG
((S)-2-Benzenesulfonylamino-3-{[4-oxo-5-(2-piperidi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2c(CCN(CCC3CCNCC3)C2=O)s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H30N4O6S2/c29-22(26-15-19(24(31)32)27-36(33,34)17-4-2-1-3-5-17)21-14-18-20(35-21)9-13-28(23(18)30)12-8-16-6-10-25-11-7-16/h1-5,14,16,19,25,27H,6-13,15H2,(H,26,29)(H,31,32)/t19-/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 inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092103
PNG
((4-{(R)-3-[4-(Imino-methoxycarbonylamino-methyl)-p...)
Show SMILES CCOC(=O)CN1CCN(C[C@@H]2CN(C(=O)O2)c2ccc(cc2)C(N)=NC(=O)OC)CC1
Show InChI InChI=1S/C21H29N5O6/c1-3-31-18(27)14-25-10-8-24(9-11-25)12-17-13-26(21(29)32-17)16-6-4-15(5-7-16)19(22)23-20(28)30-2/h4-7,17H,3,8-14H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078437
PNG
((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/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 inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058236
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O
Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092120
PNG
((S)-3-{[2-(4-Carbamimidoyl-phenyl)-benzooxazole-5-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2oc(nc2c1)-c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H23N5O6S/c1-14-2-9-18(10-3-14)37(34,35)30-20(25(32)33)13-28-23(31)17-8-11-21-19(12-17)29-24(36-21)16-6-4-15(5-7-16)22(26)27/h2-12,20,30H,13H2,1H3,(H3,26,27)(H,28,31)(H,32,33)/t20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103674
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-2'-sulfamo...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1
Show InChI InChI=1S/C27H23FN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35)
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n/an/a 13n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092097
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(piperidin-4-ylme...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H28N4O6S/c29-23(26-14-22(24(30)31)28-35(32,33)19-4-2-1-3-5-19)21-13-17-12-18(6-7-20(17)27-21)34-15-16-8-10-25-11-9-16/h1-7,12-13,16,22,25,27-28H,8-11,14-15H2,(H,26,29)(H,30,31)/t22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103664
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4,5-dichloro-imi...)
Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2cnc(Cl)c2Cl)c2ccccc2)c1
Show InChI InChI=1S/C24H19Cl2N5O2/c25-21-22(26)31(14-29-21)18-11-9-17(10-12-18)30-24(32)20(15-5-2-1-3-6-15)33-19-8-4-7-16(13-19)23(27)28/h1-14,20H,(H3,27,28)(H,30,32)
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n/an/a 14n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092101
PNG
(7-(4-Carbamimidoyl-benzoylamino)-3-(3-methyl-butyr...)
Show SMILES CC(C)CC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C20H30N4O4/c1-13(2)11-17(25)24-16(12-18(26)27)5-3-4-10-23-20(28)15-8-6-14(7-9-15)19(21)22/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,21,22)(H,23,28)(H,24,25)(H,26,27)/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078442
PNG
((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1
Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50084010
PNG
((S)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES NC(=N)NCCCC(NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1)C=O
Show InChI InChI=1S/C21H35N9O5S/c22-20(23)26-10-4-8-16(13-31)29-18(32)12-28-19(33)17(9-5-11-27-21(24)25)30-36(34,35)14-15-6-2-1-3-7-15/h1-3,6-7,13,16-17,30H,4-5,8-12,14H2,(H,28,33)(H,29,32)(H4,22,23,26)(H4,24,25,27)/t16?,17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 10: 13-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00582-x
BindingDB Entry DOI: 10.7270/Q2CR5SM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50076058
PNG
((S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-ben...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(cc1)N1CCNCC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
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
Prothrombin


(Homo sapiens (Human))
BDBM12658
PNG
(4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)car...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H43N9O9/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,40,45)(H,43,44)(H4,33,34,35)/t19-,23-,24-,27-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor II (thrombin).


Bioorg Med Chem Lett 10: 13-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00582-x
BindingDB Entry DOI: 10.7270/Q2CR5SM3
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50106056
PNG
((R)-2-(3-Carbamimidoyl-benzoyl)-1,2,3,4-tetrahydro...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C30H27N5O4S/c31-28(32)21-8-5-9-22(16-21)30(37)35-18-23-7-2-1-6-20(23)17-26(35)29(36)34-24-14-12-19(13-15-24)25-10-3-4-11-27(25)40(33,38)39/h1-16,26H,17-18H2,(H3,31,32)(H,34,36)(H2,33,38,39)/t26-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa.


Bioorg Med Chem Lett 11: 2947-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00585-6
BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061841
PNG
(3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amin...)
Show SMILES CC(CC(=O)NC(CC(O)=O)c1ccccc1)NC(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C23H24N4O5/c1-13(9-20(28)27-17(12-21(29)30)14-5-3-2-4-6-14)26-23(31)19-11-16-10-15(22(24)25)7-8-18(16)32-19/h2-8,10-11,13,17H,9,12H2,1H3,(H3,24,25)(H,26,31)(H,27,28)(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50084007
PNG
((S)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)NC(CCCNC(N)=N)C=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H37N9O5S/c1-31(13-19(33)29-17(14-32)9-5-11-27-21(23)24)20(34)18(10-6-12-28-22(25)26)30-37(35,36)15-16-7-3-2-4-8-16/h2-4,7-8,14,17-18,30H,5-6,9-13,15H2,1H3,(H,29,33)(H4,23,24,27)(H4,25,26,28)/t17?,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 10: 13-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00582-x
BindingDB Entry DOI: 10.7270/Q2CR5SM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092125
PNG
(CHEMBL37300 | {4-[4-(4-Carbamimidoyl-phenyl)-piper...)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C19H22N4O3/c20-19(21)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-17(8-6-16)26-13-18(24)25/h1-8H,9-13H2,(H3,20,21)(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of glycoprotein IIb/III and platelet aggregation in human platelet rich plasma


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061864
PNG
(3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amin...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NCCC(O)=O
Show InChI InChI=1S/C16H18N4O5/c17-15(18)9-1-2-11-10(7-9)8-12(25-11)16(24)20-5-3-13(21)19-6-4-14(22)23/h1-2,7-8H,3-6H2,(H3,17,18)(H,19,21)(H,20,24)(H,22,23)
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092121
PNG
(3-{2-[4-(4-Carbamimidoyl-phenyl)-4-methyl-2,5-diox...)
Show SMILES C[C@]1(NC(=O)N(CC(=O)NC(CC(O)=O)c2ccccc2)C1=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H23N5O5/c1-22(15-9-7-14(8-10-15)19(23)24)20(31)27(21(32)26-22)12-17(28)25-16(11-18(29)30)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,32)(H,29,30)/t16?,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human gel filtered platelet aggregation induced by ADP


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061848
PNG
(3-{3-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-methy...)
Show SMILES CN(CCC(=O)NC(CC(O)=O)c1ccccc1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C23H25N5O4/c1-28(23(32)19-12-16-11-15(22(24)25)7-8-17(16)26-19)10-9-20(29)27-18(13-21(30)31)14-5-3-2-4-6-14/h2-8,11-12,18,26H,9-10,13H2,1H3,(H3,24,25)(H,27,29)(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
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 21n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50103678
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O4S/c22-21(23)15-4-3-5-17(12-15)29-13-20(26)25-16-10-8-14(9-11-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28)
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n/an/a 21n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X


Bioorg Med Chem Lett 11: 2279-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00447-4
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50092128
PNG
(3-[(2-{4-[(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-imi...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(cc2)C(=N)N2CCC3(CC2)OCCO3)n1C)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H29N5O6S/c1-15-19(22(33)26-10-7-18(30)31)36-23(28(15)2)27-21(32)17-5-3-16(4-6-17)20(25)29-11-8-24(9-12-29)34-13-14-35-24/h3-6,25H,7-14H2,1-2H3,(H,26,33)(H,30,31)/b25-20?,27-23-
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n/an/a 22n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta-3 integrin mediated platlet aggregation


J Med Chem 43: 3453-73 (2000)


Article DOI: 10.1021/jm000022w
BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair
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