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Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'utterback' and Initial = 'bg'   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50228247
PNG
(CHEMBL38017 | LY-197055)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)(C)c2c1 |c:6|
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0.540n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 32: 1476-80 (1989)


BindingDB Entry DOI: 10.7270/Q2P271B2
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))
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))
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50228246
PNG
(INDOLIDAN | Indolidan)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1 |t:14|
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5.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 32: 1476-80 (1989)


BindingDB Entry DOI: 10.7270/Q2P271B2
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50228245
PNG
(CHEMBL34945 | LY-186126)
Show SMILES CC1CC(=O)NN=C1c1ccc2N(C)C(=O)C(C)(C)c2c1 |c:6|
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 32: 1476-80 (1989)


BindingDB Entry DOI: 10.7270/Q2P271B2
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50228248
PNG
(CHEMBL37981)
Show SMILES CN1N=C(CCC1=O)c1ccc2NC(=O)Cc2c1 |c:2|
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6.14E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 32: 1476-80 (1989)


BindingDB Entry DOI: 10.7270/Q2P271B2
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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n/an/a 2n/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))
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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n/an/a 2n/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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072779
PNG
((E)-7-{4-[4-(2-Phenoxy-ethylcarbamoyl)-oxazol-2-yl...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCCOc1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H29N3O5/c34-28(35)12-6-2-5-11-26(24-8-7-17-31-20-24)22-13-15-23(16-14-22)30-33-27(21-38-30)29(36)32-18-19-37-25-9-3-1-4-10-25/h1,3-4,7-11,13-17,20-21H,2,5-6,12,18-19H2,(H,32,36)(H,34,35)/b26-11+
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n/an/a 2.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072778
PNG
((E)-7-(4-{4-[3-(4-Methoxy-phenyl)-propylcarbamoyl]...)
Show SMILES COc1ccc(CCCNC(=O)c2coc(n2)-c2ccc(cc2)C(=C/CCCCC(O)=O)\c2cccnc2)cc1
Show InChI InChI=1S/C32H33N3O5/c1-39-27-17-11-23(12-18-27)7-5-20-34-31(38)29-22-40-32(35-29)25-15-13-24(14-16-25)28(26-8-6-19-33-21-26)9-3-2-4-10-30(36)37/h6,8-9,11-19,21-22H,2-5,7,10,20H2,1H3,(H,34,38)(H,36,37)/b28-9+
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n/an/a 2.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058928
PNG
(CHEMBL292795 | [6-(4-Carbamimidoyl-phenylcarbamoyl...)
Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H18N4O4/c20-17(21)11-1-4-14(5-2-11)22-18(26)13-3-6-15-12(9-13)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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n/an/a 3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA


J Med Chem 40: 2085-101 (1997)


Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH
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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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 1% bovine serum albumin (BSA)


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
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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n/an/a 3n/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))
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072788
PNG
((E)-7-{4-[4-((1R,2S)-2-Phenyl-cyclopropylcarbamoyl...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)N[C@@H]1C[C@H]1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H29N3O4/c35-29(36)12-6-2-5-11-25(24-10-7-17-32-19-24)22-13-15-23(16-14-22)31-34-28(20-38-31)30(37)33-27-18-26(27)21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20,26-27H,2,5-6,12,18H2,(H,33,37)(H,35,36)/b25-11+/t26-,27+/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
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072788
PNG
((E)-7-{4-[4-((1R,2S)-2-Phenyl-cyclopropylcarbamoyl...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)N[C@@H]1C[C@H]1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H29N3O4/c35-29(36)12-6-2-5-11-25(24-10-7-17-32-19-24)22-13-15-23(16-14-22)31-34-28(20-38-31)30(37)33-27-18-26(27)21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20,26-27H,2,5-6,12,18H2,(H,33,37)(H,35,36)/b25-11+/t26-,27+/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
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50290317
PNG
(4-{1-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihy...)
Show SMILES COC(=O)c1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C28H27N3O6/c1-36-28(35)20-8-6-18(7-9-20)24(15-25(32)33)31-13-12-21-14-22(10-11-23(21)27(31)34)37-16-17-2-4-19(5-3-17)26(29)30/h2-11,14,24H,12-13,15-16H2,1H3,(H3,29,30)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50290324
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CCc3c2)C(CC(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4/c27-25(28)19-8-6-17(7-9-19)16-33-21-10-11-22-20(14-21)12-13-29(26(22)32)23(15-24(30)31)18-4-2-1-3-5-18/h1-11,14,23H,12-13,15-16H2,(H3,27,28)(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP).


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50290319
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES COc1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C27H27N3O5/c1-34-21-8-6-18(7-9-21)24(15-25(31)32)30-13-12-20-14-22(10-11-23(20)27(30)33)35-16-17-2-4-19(5-3-17)26(28)29/h2-11,14,24H,12-13,15-16H2,1H3,(H3,28,29)(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072785
PNG
((E)-7-[4-(4-Phenethylcarbamoyl-oxazol-2-yl)-phenyl...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H29N3O4/c34-28(35)12-6-2-5-11-26(25-10-7-18-31-20-25)23-13-15-24(16-14-23)30-33-27(21-37-30)29(36)32-19-17-22-8-3-1-4-9-22/h1,3-4,7-11,13-16,18,20-21H,2,5-6,12,17,19H2,(H,32,36)(H,34,35)/b26-11+
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n/an/a 9.40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072787
PNG
((E)-7-(4-{4-[3-(1-Cyclohexyl-ethoxy)-propylcarbamo...)
Show SMILES CC(OCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C33H41N3O5/c1-24(25-10-4-2-5-11-25)40-21-9-20-35-32(39)30-23-41-33(36-30)27-17-15-26(16-18-27)29(28-12-8-19-34-22-28)13-6-3-7-14-31(37)38/h8,12-13,15-19,22-25H,2-7,9-11,14,20-21H2,1H3,(H,35,39)(H,37,38)/b29-13+
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n/an/a 11.5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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n/an/a 14.7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
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))
BDBM50290325
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP).


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50290325
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test


Bioorg Med Chem Lett 7: 2537-2542 (1997)


Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50071142
PNG
((E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H27N3O4/c33-27(34)12-6-2-5-11-25(24-10-7-17-30-19-24)22-13-15-23(16-14-22)29-32-26(20-36-29)28(35)31-18-21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20H,2,5-6,12,18H2,(H,31,35)(H,33,34)/b25-11+
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n/an/a 24.7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50071131
PNG
((E)-7-{4-[4-(Cyclopropylmethyl-carbamoyl)-oxazol-2...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCC1CC1)c1cccnc1
Show InChI InChI=1S/C26H27N3O4/c30-24(31)7-3-1-2-6-22(21-5-4-14-27-16-21)19-10-12-20(13-11-19)26-29-23(17-33-26)25(32)28-15-18-8-9-18/h4-6,10-14,16-18H,1-3,7-9,15H2,(H,28,32)(H,30,31)/b22-6+
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n/an/a 25n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072780
PNG
((E)-7-(4-{4-[3-(4-Methoxy-cyclohexyl)-propylcarbam...)
Show SMILES COC1CCC(CCCNC(=O)c2coc(n2)-c2ccc(cc2)C(=C/CCCCC(O)=O)\c2cccnc2)CC1 |(16.69,-6.53,;15.35,-5.78,;14.02,-6.55,;14.12,-8.09,;12.85,-8.96,;11.47,-8.28,;10.21,-9.14,;8.82,-8.46,;7.55,-9.33,;6.15,-8.67,;4.87,-9.54,;4.96,-11.08,;3.71,-8.53,;2.17,-8.61,;1.62,-7.18,;2.8,-6.2,;4.1,-7.04,;2.72,-4.66,;4,-3.81,;3.91,-2.27,;2.53,-1.59,;1.25,-2.44,;1.34,-3.98,;2.44,-.05,;3.72,.81,;5.1,.13,;6.39,1,;7.76,.3,;9.04,1.17,;10.42,.48,;10.51,-1.05,;11.7,1.35,;1.07,.63,;-.21,-.22,;-1.6,.46,;-1.7,2,;-.41,2.85,;.97,2.17,;11.34,-6.75,;12.62,-5.89,)|
Show InChI InChI=1S/C32H39N3O5/c1-39-27-17-11-23(12-18-27)7-5-20-34-31(38)29-22-40-32(35-29)25-15-13-24(14-16-25)28(26-8-6-19-33-21-26)9-3-2-4-10-30(36)37/h6,8-9,13-16,19,21-23,27H,2-5,7,10-12,17-18,20H2,1H3,(H,34,38)(H,36,37)/b28-9+
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n/an/a 28.7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50071141
PNG
((E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7...)
Show SMILES CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C27H31N3O4/c1-2-3-7-17-29-26(33)24-19-34-27(30-24)21-14-12-20(13-15-21)23(22-9-8-16-28-18-22)10-5-4-6-11-25(31)32/h8-10,12-16,18-19H,2-7,11,17H2,1H3,(H,29,33)(H,31,32)/b23-10+
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n/an/a 31.2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058924
PNG
(CHEMBL68183 | [6-(4-Carbamimidoyl-phenylethynyl)-1...)
Show SMILES NC(=N)c1ccc(cc1)C#Cc1ccc2C(=O)N(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H17N3O3/c21-19(22)15-6-3-13(4-7-15)1-2-14-5-8-17-16(11-14)9-10-23(20(17)26)12-18(24)25/h3-8,11H,9-10,12H2,(H3,21,22)(H,24,25)
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n/an/a 33n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA


J Med Chem 40: 2085-101 (1997)


Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50072786
PNG
((E)-7-{4-[4-(2-Cyclohexyloxy-ethylcarbamoyl)-oxazo...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCCOC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C30H35N3O5/c34-28(35)12-6-2-5-11-26(24-8-7-17-31-20-24)22-13-15-23(16-14-22)30-33-27(21-38-30)29(36)32-18-19-37-25-9-3-1-4-10-25/h7-8,11,13-17,20-21,25H,1-6,9-10,12,18-19H2,(H,32,36)(H,34,35)/b26-11+
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n/an/a 33n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)


Article DOI: 10.1021/jm980173n
BindingDB Entry DOI: 10.7270/Q2V123Z8
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
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