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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'bastian' and Initial = 'ja'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075926
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O2S/c1-37-31-21-25(8-11-27(31)23-35-17-4-5-18-35)20-30-29-13-12-28(36)22-32(29)38-33(30)26-9-6-24(7-10-26)14-19-34-15-2-3-16-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075934
PNG
(2-[4-(2-Amino-3-hydroxy-propoxy)-phenyl]-3-(3-meth...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCC(N)CO)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C30H34N2O4S/c1-35-28-15-20(4-5-22(28)17-32-12-2-3-13-32)14-27-26-11-8-24(34)16-29(26)37-30(27)21-6-9-25(10-7-21)36-19-23(31)18-33/h4-11,15-16,23,33-34H,2-3,12-14,17-19,31H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075937
PNG
(2-{4-[2-(2-Hydroxymethyl-pyrrolidin-1-yl)-ethoxy]-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3CO)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C34H40N2O4S/c1-39-32-20-24(6-7-26(32)22-35-14-2-3-15-35)19-31-30-13-10-28(38)21-33(30)41-34(31)25-8-11-29(12-9-25)40-18-17-36-16-4-5-27(36)23-37/h6-13,20-21,27,37-38H,2-5,14-19,22-23H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075928
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[6-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)nc2)ccc1CN1CCCC1
Show InChI InChI=1S/C32H37N3O3S/c1-37-29-19-23(6-7-25(29)22-35-14-4-5-15-35)18-28-27-10-9-26(36)20-30(27)39-32(28)24-8-11-31(33-21-24)38-17-16-34-12-2-3-13-34/h6-11,19-21,36H,2-5,12-18,22H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075938
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O3S/c1-37-31-21-24(6-7-26(31)23-35-16-4-5-17-35)20-30-29-13-10-27(36)22-32(29)39-33(30)25-8-11-28(12-9-25)38-19-18-34-14-2-3-15-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075932
PNG
(2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-N-{4-[...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H37N3O5S2/c1-41-30-19-23(4-5-25(30)21-35-12-2-3-13-35)18-29-28-11-10-27(37)20-31(28)42-33(29)24-6-8-26(9-7-24)34-32(38)22-36-14-16-43(39,40)17-15-36/h4-11,19-20,37H,2-3,12-18,21-22H2,1H3,(H,34,38)
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0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075935
PNG
(3-(3-Methyl-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-(...)
Show SMILES Cc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O2S/c1-24-20-25(6-7-27(24)23-35-16-4-5-17-35)21-31-30-13-10-28(36)22-32(30)38-33(31)26-8-11-29(12-9-26)37-19-18-34-14-2-3-15-34/h6-13,20,22,36H,2-5,14-19,21,23H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075931
PNG
(3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PY...)
Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075939
PNG
(2-Dimethylamino-N-{4-[6-hydroxy-3-(3-methoxy-4-pyr...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN(C)C)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C31H35N3O3S/c1-33(2)20-30(36)32-24-10-8-22(9-11-24)31-27(26-13-12-25(35)18-29(26)38-31)16-21-6-7-23(28(17-21)37-3)19-34-14-4-5-15-34/h6-13,17-18,35H,4-5,14-16,19-20H2,1-3H3,(H,32,36)
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075927
PNG
(2-[4-(2-Amino-ethoxy)-phenyl]-3-(3-methoxy-4-pyrro...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C29H32N2O3S/c1-33-27-17-20(4-5-22(27)19-31-13-2-3-14-31)16-26-25-11-8-23(32)18-28(25)35-29(26)21-6-9-24(10-7-21)34-15-12-30/h4-11,17-18,32H,2-3,12-16,19,30H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075930
PNG
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-(4-pyrro...)
Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)cc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C32H36N2O2S/c35-27-11-14-29-30(21-24-5-7-25(8-6-24)23-34-17-3-4-18-34)32(37-31(29)22-27)26-9-12-28(13-10-26)36-20-19-33-15-1-2-16-33/h5-14,22,35H,1-4,15-21,23H2
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4.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075941
PNG
(3-(3-Hydroxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...)
Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(O)c3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C32H36N2O3S/c35-26-9-12-28-29(19-23-5-6-25(30(36)20-23)22-34-15-3-4-16-34)32(38-31(28)21-26)24-7-10-27(11-8-24)37-18-17-33-13-1-2-14-33/h5-12,20-21,35-36H,1-4,13-19,22H2
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075933
PNG
(2-[4-(2-Amino-ethyl)-phenyl]-3-(3-methoxy-4-pyrrol...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C29H32N2O2S/c1-33-27-17-21(6-9-23(27)19-31-14-2-3-15-31)16-26-25-11-10-24(32)18-28(25)34-29(26)22-7-4-20(5-8-22)12-13-30/h4-11,17-18,32H,2-3,12-16,19,30H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228863
PNG
((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075929
PNG
(2-Amino-N-{4-[6-hydroxy-3-(3-methoxy-4-pyrrolidin-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C29H31N3O3S/c1-35-26-15-19(4-5-21(26)18-32-12-2-3-13-32)14-25-24-11-10-23(33)16-27(24)36-29(25)20-6-8-22(9-7-20)31-28(34)17-30/h4-11,15-16,33H,2-3,12-14,17-18,30H2,1H3,(H,31,34)
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7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075940
PNG
(5-{6-Hydroxy-2-[4-(2-pyrrolidin-1-yl-ethoxy)-pheny...)
Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(c3)C#N)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C33H35N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,23H2
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7.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50075936
PNG
(3-(3-Aminomethyl-4-pyrrolidin-1-ylmethyl-benzyl)-2...)
Show SMILES NCc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H39N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,22-23,34H2
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059694
PNG
(7-[(6-Carbamimidoyl-1H-indazole-3-carbonyl)-amino]...)
Show SMILES NC(=N)c1ccc2c([nH]nc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C16H21N5O3/c17-15(18)10-6-7-11-12(9-10)20-21-14(11)16(24)19-8-4-2-1-3-5-13(22)23/h6-7,9H,1-5,8H2,(H3,17,18)(H,19,24)(H,20,21)(H,22,23)
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50031565
PNG
((S)-3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propion...)
Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)N[C@@H](CC(O)=O)C#C)cc1
Show InChI InChI=1S/C16H18N4O4/c1-2-11(9-15(23)24)19-13(21)7-8-14(22)20-12-5-3-10(4-6-12)16(17)18/h1,3-6,11H,7-9H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)/t11-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition ADP-induced (fibrinogen-mediated) platelet aggregation in human platelet-rich plasma (PRP)


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059679
PNG
(7-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H21N3O4/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9-10H,1-5,8H2,(H3,18,19)(H,20,23)(H,21,22)
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n/an/a 40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059688
PNG
(7-[(6-Carbamimidoyl-1H-indole-3-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2c(c[nH]c2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-12-13(10-21-14(12)9-11)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059694
PNG
(7-[(6-Carbamimidoyl-1H-indazole-3-carbonyl)-amino]...)
Show SMILES NC(=N)c1ccc2c([nH]nc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C16H21N5O3/c17-15(18)10-6-7-11-12(9-10)20-21-14(11)16(24)19-8-4-2-1-3-5-13(22)23/h6-7,9H,1-5,8H2,(H3,17,18)(H,19,24)(H,20,21)(H,22,23)
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n/an/a 140n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059691
PNG
(7-[(6-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)12-7-6-11-9-14(21-13(11)10-12)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059679
PNG
(7-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H21N3O4/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9-10H,1-5,8H2,(H3,18,19)(H,20,23)(H,21,22)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059685
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES CC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C18H24N4O3/c1-11(8-16(23)24)4-2-3-7-21-18(25)15-10-13-9-12(17(19)20)5-6-14(13)22-15/h5-6,9-11,22H,2-4,7-8H2,1H3,(H3,19,20)(H,21,25)(H,23,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059704
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-methyl-a...)
Show SMILES CN(CCCCCCC(O)=O)C(=O)c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C18H24N4O3/c1-22(9-5-3-2-4-6-16(23)24)18(25)15-11-13-10-12(17(19)20)7-8-14(13)21-15/h7-8,10-11,21H,2-6,9H2,1H3,(H3,19,20)(H,23,24)
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n/an/a 340n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059696
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES CCC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H26N4O3/c1-2-12(9-17(24)25)5-3-4-8-22-19(26)16-11-14-10-13(18(20)21)6-7-15(14)23-16/h6-7,10-12,23H,2-5,8-9H2,1H3,(H3,20,21)(H,22,26)(H,24,25)
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n/an/a 440n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059699
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c24-22(25)17-9-10-19-18(12-17)13-20(27-19)23(30)26-11-5-4-8-16(14-21(28)29)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,16,27H,4-5,8,11,14H2,(H3,24,25)(H,26,30)(H,28,29)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059682
PNG
(3-{4-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino...)
Show SMILES CCCCCCC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C23H34N4O3/c1-2-3-4-5-8-16(13-21(28)29)9-6-7-12-26-23(30)20-15-18-14-17(22(24)25)10-11-19(18)27-20/h10-11,14-16,27H,2-9,12-13H2,1H3,(H3,24,25)(H,26,30)(H,28,29)
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n/an/a 590n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059688
PNG
(7-[(6-Carbamimidoyl-1H-indole-3-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2c(c[nH]c2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-12-13(10-21-14(12)9-11)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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n/an/a 650n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059707
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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n/an/a 680n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059700
PNG
(3-{3-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCC(=O)NCCC(O)=O
Show InChI InChI=1S/C16H19N5O4/c17-15(18)9-1-2-11-10(7-9)8-12(21-11)16(25)20-5-3-13(22)19-6-4-14(23)24/h1-2,7-8,21H,3-6H2,(H3,17,18)(H,19,22)(H,20,25)(H,23,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059710
PNG
(3-Butyl-7-[(5-carbamimidoyl-1H-indole-2-carbonyl)-...)
Show SMILES CCCCC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C21H30N4O3/c1-2-3-6-14(11-19(26)27)7-4-5-10-24-21(28)18-13-16-12-15(20(22)23)8-9-17(16)25-18/h8-9,12-14,25H,2-7,10-11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)
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n/an/a 790n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059681
PNG
(7-[(5-Carbamimidoyl-benzo[b]thiophene-2-carbonyl)-...)
Show SMILES NC(=N)c1ccc2sc(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H21N3O3S/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9-10H,1-5,8H2,(H3,18,19)(H,20,23)(H,21,22)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059686
PNG
(7-[(5-Carbamimidoyl-2,3-dihydro-benzofuran-2-carbo...)
Show SMILES NC(=N)c1ccc2OC(Cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H23N3O4/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9,14H,1-5,8,10H2,(H3,18,19)(H,20,23)(H,21,22)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059701
PNG
(7-[(1-Benzyl-5-carbamimidoyl-1H-indole-2-carbonyl)...)
Show SMILES NC(=N)c1ccc2n(Cc3ccccc3)c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C24H28N4O3/c25-23(26)18-11-12-20-19(14-18)15-21(28(20)16-17-8-4-3-5-9-17)24(31)27-13-7-2-1-6-10-22(29)30/h3-5,8-9,11-12,14-15H,1-2,6-7,10,13,16H2,(H3,25,26)(H,27,31)(H,29,30)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified Fibrinogen Receptor preparation in enzyme-linked immunosorbent assay (ELISA)


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059698
PNG
(7-[(6-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-...)
Show SMILES NC(=N)c1ccc2cc(oc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H21N3O4/c18-16(19)12-7-6-11-9-14(24-13(11)10-12)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9-10H,1-5,8H2,(H3,18,19)(H,20,23)(H,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059703
PNG
(7-[2-(4-Carbamimidoyl-phenoxy)-acetylamino]-heptan...)
Show SMILES NC(=N)c1ccc(OCC(=O)NCCCCCCC(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-16(18)12-6-8-13(9-7-12)23-11-14(20)19-10-4-2-1-3-5-15(21)22/h6-9H,1-5,10-11H2,(H3,17,18)(H,19,20)(H,21,22)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059691
PNG
(7-[(6-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)12-7-6-11-9-14(21-13(11)10-12)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059678
PNG
(7-[(5-Carbamimidoyl-3-methyl-1H-indole-2-carbonyl)...)
Show SMILES Cc1c([nH]c2ccc(cc12)C(N)=N)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C18H24N4O3/c1-11-13-10-12(17(19)20)7-8-14(13)22-16(11)18(25)21-9-5-3-2-4-6-15(23)24/h7-8,10,22H,2-6,9H2,1H3,(H3,19,20)(H,21,25)(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059680
PNG
(6-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C16H19N3O4/c17-15(18)10-5-6-12-11(8-10)9-13(23-12)16(22)19-7-3-1-2-4-14(20)21/h5-6,8-9H,1-4,7H2,(H3,17,18)(H,19,22)(H,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059703
PNG
(7-[2-(4-Carbamimidoyl-phenoxy)-acetylamino]-heptan...)
Show SMILES NC(=N)c1ccc(OCC(=O)NCCCCCCC(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-16(18)12-6-8-13(9-7-12)23-11-14(20)19-10-4-2-1-3-5-15(21)22/h6-9H,1-5,10-11H2,(H3,17,18)(H,19,20)(H,21,22)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059707
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059685
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES CC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C18H24N4O3/c1-11(8-16(23)24)4-2-3-7-21-18(25)15-10-13-9-12(17(19)20)5-6-14(13)22-15/h5-6,9-11,22H,2-4,7-8H2,1H3,(H3,19,20)(H,21,25)(H,23,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059690
PNG
(7-[(5-Carbamimidoyl-1-methyl-1H-indole-2-carbonyl)...)
Show SMILES Cn1c(cc2cc(ccc12)C(N)=N)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C18H24N4O3/c1-22-14-8-7-12(17(19)20)10-13(14)11-15(22)18(25)21-9-5-3-2-4-6-16(23)24/h7-8,10-11H,2-6,9H2,1H3,(H3,19,20)(H,21,25)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059704
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-methyl-a...)
Show SMILES CN(CCCCCCC(O)=O)C(=O)c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C18H24N4O3/c1-22(9-5-3-2-4-6-16(23)24)18(25)15-11-13-10-12(17(19)20)7-8-14(13)21-15/h7-8,10-11,21H,2-6,9H2,1H3,(H3,19,20)(H,23,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059705
PNG
(8-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-amino]-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCCCCCCC(O)=O
Show InChI InChI=1S/C18H23N3O4/c19-17(20)12-7-8-14-13(10-12)11-15(25-14)18(24)21-9-5-3-1-2-4-6-16(22)23/h7-8,10-11H,1-6,9H2,(H3,19,20)(H,21,24)(H,22,23)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified Fibrinogen Receptor preparation in enzyme-linked immunosorbent assay (ELISA)


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059686
PNG
(7-[(5-Carbamimidoyl-2,3-dihydro-benzofuran-2-carbo...)
Show SMILES NC(=N)c1ccc2OC(Cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H23N3O4/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9,14H,1-5,8,10H2,(H3,18,19)(H,20,23)(H,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059700
PNG
(3-{3-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCC(=O)NCCC(O)=O
Show InChI InChI=1S/C16H19N5O4/c17-15(18)9-1-2-11-10(7-9)8-12(21-11)16(25)20-5-3-13(22)19-6-4-14(23)24/h1-2,7-8,21H,3-6H2,(H3,17,18)(H,19,22)(H,20,25)(H,23,24)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059683
PNG
(3-(4-{[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amin...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C20H20N4O3/c21-19(22)14-6-7-16-15(9-14)10-17(24-16)20(27)23-11-13-3-1-12(2-4-13)5-8-18(25)26/h1-4,6-7,9-10,24H,5,8,11H2,(H3,21,22)(H,23,27)(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
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