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Compile Data Set for Download or QSAR

Found 353 hits with Last Name = 'mccowan' and Initial = 'jr'   
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))
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))
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))
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
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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n/an/a 1.20n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


(Homo sapiens (Human))
BDBM50061840
PNG
((S)-3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C28H30N6O7S/c1-34(2)21-7-3-6-19-18(21)5-4-8-24(19)42(39,40)33-20(28(37)38)15-32-25(35)11-12-31-27(36)23-14-17-13-16(26(29)30)9-10-22(17)41-23/h3-10,13-14,20,33H,11-12,15H2,1-2H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t20-/m0/s1
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COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


(Homo sapiens (Human))
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))
BDBM50061862
PNG
((S)-3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(O)=O
Show InChI InChI=1S/C22H22IN5O7S/c23-14-2-4-15(5-3-14)36(33,34)28-16(22(31)32)11-27-19(29)7-8-26-21(30)18-10-13-9-12(20(24)25)1-6-17(13)35-18/h1-6,9-10,16,28H,7-8,11H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/m0/s1
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COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


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

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


(Homo sapiens (Human))
BDBM50061847
PNG
((S)-2-(Butane-1-sulfonylamino)-3-{3-[(5-carbamimid...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H27N5O7S/c1-2-3-8-33(30,31)25-14(20(28)29)11-24-17(26)6-7-23-19(27)16-10-13-9-12(18(21)22)4-5-15(13)32-16/h4-5,9-10,14,25H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)/t14-/m0/s1
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COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


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

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled gastrin binding to gastrin receptor in guinea pig brain membranes


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132989
PNG
(4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
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n/an/a 2.90n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
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))
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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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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50132986
PNG
(4-(3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)q...)
Show SMILES FC(F)(F)c1cccc(c1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C19H12F3N3/c20-19(21,22)13-5-3-4-12(10-13)18-16(11-24-25-18)14-8-9-23-17-7-2-1-6-15(14)17/h1-11H,(H,24,25)
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The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132989
PNG
(4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
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The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled CCK-8 sulfate binding to CCK-B receptor in mouse brain membranes


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
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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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
Cholecystokinin receptor


(MOUSE)
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...


J Med Chem 35: 2534-42 (1992)


BindingDB Entry DOI: 10.7270/Q2JM28MX
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006842
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
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
Cholecystokinin receptor


(MOUSE)
BDBM50011943
PNG
(2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-dimethyla...)
Show SMILES CN(C)c1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C26H23BrN4O/c1-30(2)19-6-5-7-20(15-19)31-25(29-24-9-4-3-8-21(24)26(31)32)13-10-17-16-28-23-12-11-18(27)14-22(17)23/h3-9,11-12,14-16,28H,10,13H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


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



COR Therapeutics, Inc.

Curated by ChEMBL


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


J Med Chem 40: 4308-18 (1998)


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


(Homo sapiens (Human))
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012827
PNG
(10H-Phenoxazine | CHEMBL276850 | PHENOXAZINE)
Show SMILES N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)


Bioorg Med Chem Lett 1: 107-110 (1991)


Article DOI: 10.1016/S0960-894X(00)80241-3
BindingDB Entry DOI: 10.7270/Q2DF6R3J
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132981
PNG
(4-[5-Methyl-3-(6-methyl-pyridin-2-yl)-1H-pyrazol-4...)
Show SMILES Cc1[nH]nc(c1-c1ccnc2ccccc12)-c1cccc(C)n1 |(7.05,-2.76,;8.52,-3.22,;9.75,-2.33,;11,-3.22,;10.52,-4.69,;8.98,-4.69,;8.07,-5.94,;8.7,-7.35,;7.79,-8.59,;6.25,-8.42,;5.65,-7.02,;4.11,-6.86,;3.5,-5.44,;4.41,-4.2,;5.94,-4.37,;6.55,-5.78,;11.43,-5.94,;10.79,-7.34,;11.69,-8.59,;13.22,-8.42,;13.85,-7.02,;15.34,-6.6,;12.94,-5.78,)|
Show InChI InChI=1S/C19H16N4/c1-12-6-5-9-17(21-12)19-18(13(2)22-23-19)15-10-11-20-16-8-4-3-7-14(15)16/h3-11H,1-2H3,(H,22,23)
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n/an/a 24n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50132993
PNG
(4-(3-Phenyl-1H-pyrazol-4-yl)-quinoline | 4-(3-phen...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-2-6-13(7-3-1)18-16(12-20-21-18)14-10-11-19-17-9-5-4-8-15(14)17/h1-12H,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061862
PNG
((S)-3-{3-[(5-Carbamimidoyl-benzofuran-2-carbonyl)-...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)NCCC(=O)NC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(O)=O
Show InChI InChI=1S/C22H22IN5O7S/c23-14-2-4-15(5-3-14)36(33,34)28-16(22(31)32)11-27-19(29)7-8-26-21(30)18-10-13-9-12(20(24)25)1-6-17(13)35-18/h1-6,9-10,16,28H,7-8,11H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20 uM ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006838
PNG
(2-[2-(1H-Indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-13,16-18,28H,14-15H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...


J Med Chem 35: 2534-42 (1992)


BindingDB Entry DOI: 10.7270/Q2JM28MX
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006838
PNG
(2-[2-(1H-Indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl...)
Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-13,16-18,28H,14-15H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.


J Med Chem 34: 1505-8 (1991)


BindingDB Entry DOI: 10.7270/Q2Z60N1P
More data for this
Ligand-Target Pair
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