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Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'schotten' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50100358
PNG
((S)-3-[(3-Pyridin-4-yl-3-aza-spiro[5.5]undecane-9-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C26H34N4O5S/c1-19-2-4-22(5-3-19)36(34,35)29-23(25(32)33)18-28-24(31)20-6-10-26(11-7-20)12-16-30(17-13-26)21-8-14-27-15-9-21/h2-5,8-9,14-15,20,23,29H,6-7,10-13,16-18H2,1H3,(H,28,31)(H,32,33)/t23-/m0/s1
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COR Therapeutics, Inc

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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

Curated by ChEMBL


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


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


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


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

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50082933
PNG
(CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50082930
PNG
(CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
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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COR Therapeutics, Inc

Curated by ChEMBL


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


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


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


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

Curated by ChEMBL


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


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


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


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

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50082930
PNG
(CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)
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Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
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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COR Therapeutics, Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50082933
PNG
(CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)
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Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
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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COR Therapeutics, Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50085605
PNG
(CHEMBL126411 | [6-(4-Carbamimidoyl-2-fluoro-benzoy...)
Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1
Show InChI InChI=1S/C20H18FN3O4/c21-16-8-12(19(22)23)3-5-15(16)20(28)24-13-4-6-14-10(7-13)1-2-11(18(14)27)9-17(25)26/h3-8,11H,1-2,9H2,(H3,22,23)(H,24,28)(H,25,26)
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Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058914
PNG
(CHEMBL303597 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)N(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H18N4O4/c20-17(21)11-1-3-12(4-2-11)18(26)22-14-5-6-15-13(9-14)7-8-23(19(15)27)10-16(24)25/h1-6,9H,7-8,10H2,(H3,20,21)(H,22,26)(H,24,25)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
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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COR Therapeutics, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
CaM kinase II


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128281
PNG
(18-dimethylaminomethyl-(18S)-17-oxa-4,14,21-triaza...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128280
PNG
(3-[1-(1-Ethyl-piperidin-4-yl)-1H-indol-3-yl]-4-(1-...)
Show SMILES CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
Show InChI InChI=1S/C28H28N4O2/c1-3-31-14-12-18(13-15-31)32-17-22(20-9-5-7-11-24(20)32)26-25(27(33)29-28(26)34)21-16-30(2)23-10-6-4-8-19(21)23/h4-11,16-18H,3,12-15H2,1-2H3,(H,29,33,34)
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50085612
PNG
(CHEMBL126485 | [6-(4-Carbamimidoyl-2,6-difluoro-be...)
Show SMILES NC(=N)c1cc(F)c(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(F)c1
Show InChI InChI=1S/C20H17F2N3O4/c21-14-6-11(19(23)24)7-15(22)17(14)20(29)25-12-3-4-13-9(5-12)1-2-10(18(13)28)8-16(26)27/h3-7,10H,1-2,8H2,(H3,23,24)(H,25,29)(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50082932
PNG
(CHEMBL147258 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CC(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H21N3O3/c21-19(22)13-3-5-14(6-4-13)20(26)23-17-8-7-15-9-12(10-18(24)25)1-2-16(15)11-17/h3-8,11-12H,1-2,9-10H2,(H3,21,22)(H,23,26)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50082931
PNG
(CHEMBL148205 | [6-(4-Carbamimidoyl-benzoylamino)-3...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CN(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H20N4O3/c20-18(21)12-1-3-13(4-2-12)19(26)22-16-6-5-15-10-23(11-17(24)25)8-7-14(15)9-16/h1-6,9H,7-8,10-11H2,(H3,20,21)(H,22,26)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128281
PNG
(18-dimethylaminomethyl-(18S)-17-oxa-4,14,21-triaza...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc

Curated by ChEMBL


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


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


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


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



COR Therapeutics, Inc

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50085611
PNG
(CHEMBL127680 | {6-[(6-Carbamimidoyl-pyridine-3-car...)
Show SMILES NC(=N)c1ccc(cn1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H18N4O4/c20-18(21)15-6-3-12(9-22-15)19(27)23-13-4-5-14-10(7-13)1-2-11(17(14)26)8-16(24)25/h3-7,9,11H,1-2,8H2,(H3,20,21)(H,23,27)(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128287
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-methyl-piperidi...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C27H26N4O2/c1-29-13-11-17(12-14-29)31-16-21(19-8-4-6-10-23(19)31)25-24(26(32)28-27(25)33)20-15-30(2)22-9-5-3-7-18(20)22/h3-10,15-17H,11-14H2,1-2H3,(H,28,32,33)
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128290
PNG
(3-[1-(1-Cyclopropylmethyl-piperidin-4-yl)-1H-indol...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C30H30N4O2/c1-32-17-23(21-6-2-4-8-25(21)32)27-28(30(36)31-29(27)35)24-18-34(26-9-5-3-7-22(24)26)20-12-14-33(15-13-20)16-19-10-11-19/h2-9,17-20H,10-16H2,1H3,(H,31,35,36)
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128282
PNG
(3-(1H-Indol-3-yl)-4-[1-(1-methyl-piperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C26H24N4O2/c1-29-12-10-16(11-13-29)30-15-20(18-7-3-5-9-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-4-2-6-17(19)21/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50085614
PNG
(CHEMBL338485 | [6-(4-Carbamimidoyl-2-chloro-benzoy...)
Show SMILES NC(=N)c1ccc(C(=O)Nc2ccc3C(=O)C(CC(O)=O)CCc3c2)c(Cl)c1
Show InChI InChI=1S/C20H18ClN3O4/c21-16-8-12(19(22)23)3-5-15(16)20(28)24-13-4-6-14-10(7-13)1-2-11(18(14)27)9-17(25)26/h3-8,11H,1-2,9H2,(H3,22,23)(H,24,28)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


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


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


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128286
PNG
(3-[1-(1-Isopropyl-piperidin-4-yl)-1H-indol-3-yl]-4...)
Show SMILES CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H30N4O2/c1-18(2)32-14-12-19(13-15-32)33-17-23(21-9-5-7-11-25(21)33)27-26(28(34)30-29(27)35)22-16-31(3)24-10-6-4-8-20(22)24/h4-11,16-19H,12-15H2,1-3H3,(H,30,34,35)
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128282
PNG
(3-(1H-Indol-3-yl)-4-[1-(1-methyl-piperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C26H24N4O2/c1-29-12-10-16(11-13-29)30-15-20(18-7-3-5-9-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-4-2-6-17(19)21/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128287
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-methyl-piperidi...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C27H26N4O2/c1-29-13-11-17(12-14-29)31-16-21(19-8-4-6-10-23(19)31)25-24(26(32)28-27(25)33)20-15-30(2)22-9-5-3-7-18(20)22/h3-10,15-17H,11-14H2,1-2H3,(H,28,32,33)
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128280
PNG
(3-[1-(1-Ethyl-piperidin-4-yl)-1H-indol-3-yl]-4-(1-...)
Show SMILES CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
Show InChI InChI=1S/C28H28N4O2/c1-3-31-14-12-18(13-15-31)32-17-22(20-9-5-7-11-24(20)32)26-25(27(33)29-28(26)34)21-16-30(2)23-10-6-4-8-19(21)23/h4-11,16-18H,3,12-15H2,1-2H3,(H,29,33,34)
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128283
PNG
(3-[1-(1-Benzyl-pyrrolidin-3-yl)-1H-indol-3-yl]-4-(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128283
PNG
(3-[1-(1-Benzyl-pyrrolidin-3-yl)-1H-indol-3-yl]-4-(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
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n/an/a 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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COR Therapeutics, Inc.

Curated by ChEMBL


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


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


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


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50128286
PNG
(3-[1-(1-Isopropyl-piperidin-4-yl)-1H-indol-3-yl]-4...)
Show SMILES CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H30N4O2/c1-18(2)32-14-12-19(13-15-32)33-17-23(21-9-5-7-11-25(21)33)27-26(28(34)30-29(27)35)22-16-31(3)24-10-6-4-8-20(22)24/h4-11,16-19H,12-15H2,1-3H3,(H,30,34,35)
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n/an/a 26n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50085607
PNG
(CHEMBL126365 | [1-Oxo-6-((E)-3-piperidin-4-yl-acry...)
Show SMILES OC(=O)CC1CCc2cc(NC(=O)\C=C\C3CCNCC3)ccc2C1=O
Show InChI InChI=1S/C20H24N2O4/c23-18(6-1-13-7-9-21-10-8-13)22-16-4-5-17-14(11-16)2-3-15(20(17)26)12-19(24)25/h1,4-6,11,13,15,21H,2-3,7-10,12H2,(H,22,23)(H,24,25)/b6-1+
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n/an/a 26n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 385-9 (2000)


BindingDB Entry DOI: 10.7270/Q2FB5252
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50082927
PNG
(CHEMBL344117 | [6-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)C(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H20N2O4/c21-20(22)13-3-1-12(2-4-13)11-26-16-7-8-17-14(9-16)5-6-15(19(17)25)10-18(23)24/h1-4,7-9,15H,5-6,10-11H2,(H3,21,22)(H,23,24)
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n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
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