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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'gunn' and Initial = 'b'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		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 alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


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


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

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


(Homo sapiens (Human))		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



Eli Lilly and Company

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


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

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


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

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


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

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


(Homo sapiens (Human))		BDBM50082928
PNG
(CHEMBL439620 | [6-(4-Carbamimidoyl-benzyloxy)-3,4-...)
Show SMILES NC(=N)c1ccc(COc2ccc3CN(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H21N3O3/c20-19(21)14-3-1-13(2-4-14)12-25-17-6-5-16-10-22(11-18(23)24)8-7-15(16)9-17/h1-6,9H,7-8,10-12H2,(H3,20,21)(H,23,24)
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Eli Lilly and Company

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


(Homo sapiens (Human))		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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082926
PNG
(CHEMBL144408 | [6-(4-Carbamimidoyl-benzyloxy)-chro...)
Show SMILES NC(=N)c1ccc(COc2ccc3OC(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H20N2O4/c20-19(21)13-3-1-12(2-4-13)11-24-15-7-8-17-14(9-15)5-6-16(25-17)10-18(22)23/h1-4,7-9,16H,5-6,10-11H2,(H3,20,21)(H,22,23)
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Eli Lilly and Company

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


(Homo sapiens (Human))		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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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))		BDBM50290316
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-19(14-22(28)29)27-12-11-18-13-20(9-10-21(18)24(27)30)31-15-16-5-7-17(8-6-16)23(25)26/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H3,25,26)(H,28,29)
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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))		BDBM50290321
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31)
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n/an/a 41n/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))		BDBM50290321
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31)
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n/an/a 41n/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))		BDBM50290320
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C22H25N3O4/c1-2-17(12-20(26)27)25-10-9-16-11-18(7-8-19(16)22(25)28)29-13-14-3-5-15(6-4-14)21(23)24/h3-8,11,17H,2,9-10,12-13H2,1H3,(H3,23,24)(H,26,27)
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n/an/a 46n/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 4.5% 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))		BDBM50290326
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C23H27N3O4/c1-2-3-18(13-21(27)28)26-11-10-17-12-19(8-9-20(17)23(26)29)30-14-15-4-6-16(7-5-15)22(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,27,28)
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n/an/a 47n/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))		BDBM50058908
PNG
(CHEMBL67520 | {6-[(E)-2-(4-Carbamimidoyl-phenyl)-v...)
Show SMILES NC(=N)c1ccc(\C=C\c2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H19N3O3/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/h1-8,11H,9-10,12H2,(H3,21,22)(H,24,25)/b2-1+
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n/an/a 48n/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))		BDBM50290323
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES COCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C24H29N3O5/c1-31-12-2-3-19(14-22(28)29)27-11-10-18-13-20(8-9-21(18)24(27)30)32-15-16-4-6-17(7-5-16)23(25)26/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H3,25,26)(H,28,29)
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n/an/a 56n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50015087
PNG
(2',4',6'-Trimethyl-biphenyl-4-carboxylic acid hydr...)
Show SMILES CN(O)C(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)14-5-7-15(8-6-14)17(19)18(4)20/h5-10,20H,1-4H3
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n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells

J Med Chem 30: 2121-6 (1987)


BindingDB Entry DOI: 10.7270/Q29Z93XT
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50290315
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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n/an/a 61n/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))		BDBM50290315
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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n/an/a 61n/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))		BDBM50290315
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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n/an/a 73n/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 4.5% 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))		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 76n/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))		BDBM50290321
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31)
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n/an/a 80n/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 0.1% 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))		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 90n/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))		BDBM50290322
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES COCCOCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C24H29N3O6/c1-31-10-11-32-15-19(13-22(28)29)27-9-8-18-12-20(6-7-21(18)24(27)30)33-14-16-2-4-17(5-3-16)23(25)26/h2-7,12,19H,8-11,13-15H2,1H3,(H3,25,26)(H,28,29)
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n/an/a 90n/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 100n/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))		BDBM50290328
PNG
(CHEMBL87318 | [(5S,8S,14S,22R,24aS)-22-Carbamoyl-1...)
Show SMILES CC1(C)SSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C(N)=O
Show InChI InChI=1S/C36H51N11O9S2/c1-36(2)29(30(37)52)46-33(55)25-10-6-13-47(25)34(56)24(15-19-17-41-21-8-4-3-7-20(19)21)45-32(54)23(16-28(50)51)44-27(49)18-42-31(53)22(9-5-12-40-35(38)39)43-26(48)11-14-57-58-36/h3-4,7-8,17,22-25,29,41H,5-6,9-16,18H2,1-2H3,(H2,37,52)(H,42,53)(H,43,48)(H,44,49)(H,45,54)(H,46,55)(H,50,51)(H4,38,39,40)/t22-,23-,24-,25-,29+/m0/s1
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n/an/a 100n/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))		BDBM50290328
PNG
(CHEMBL87318 | [(5S,8S,14S,22R,24aS)-22-Carbamoyl-1...)
Show SMILES CC1(C)SSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C(N)=O
Show InChI InChI=1S/C36H51N11O9S2/c1-36(2)29(30(37)52)46-33(55)25-10-6-13-47(25)34(56)24(15-19-17-41-21-8-4-3-7-20(19)21)45-32(54)23(16-28(50)51)44-27(49)18-42-31(53)22(9-5-12-40-35(38)39)43-26(48)11-14-57-58-36/h3-4,7-8,17,22-25,29,41H,5-6,9-16,18H2,1-2H3,(H2,37,52)(H,42,53)(H,43,48)(H,44,49)(H,45,54)(H,46,55)(H,50,51)(H4,38,39,40)/t22-,23-,24-,25-,29+/m0/s1
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n/an/a 100n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50015178
PNG
((E)-N-hydroxy-N-methyl-3-(naphthalen-2-yl)acrylami...)
Show SMILES CN(O)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO2/c1-15(17)14(16)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-10,17H,1H3/b9-7+
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells

J Med Chem 30: 2121-6 (1987)


BindingDB Entry DOI: 10.7270/Q29Z93XT
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of 12-LO human platelet

J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50290315
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30)
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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))		BDBM50058920
PNG
(CHEMBL66669 | {6-[2-(4-Carbamimidoyl-phenyl)-ethyl...)
Show SMILES NC(=N)c1ccc(CCc2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H21N3O3/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,1-2,9-10,12H2,(H3,21,22)(H,24,25)
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n/an/a 110n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50022701
PNG
(CHEMBL58810 | N-[1-(4-Benzylsulfanyl-phenyl)-ethyl...)
Show SMILES CC(N(O)C(C)=O)c1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO2S/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase from RBL-1 cells

J Med Chem 31: 1960-4 (1988)


BindingDB Entry DOI: 10.7270/Q2JS9PF1
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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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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50053509
PNG
(1-(3-Benzyloxy-phenyl)-[1,2,4]triazinan-3-one | CH...)
Show SMILES O=C1NCCN(N1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H17N3O2/c20-16-17-9-10-19(18-16)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,17,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) induced LTB4 formation in human polymorphonuclear leukocytes.

J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
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 220n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50015163
PNG
(CHEMBL65655 | N-Hydroxy-N-methyl-3-(2',4',6'-trime...)
Show SMILES CN(O)C(=O)\C=C\c1ccc(cc1)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)17-8-5-16(6-9-17)7-10-18(21)20(4)22/h5-12,22H,1-4H3/b10-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells

J Med Chem 30: 2121-6 (1987)


BindingDB Entry DOI: 10.7270/Q29Z93XT
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50290326
PNG
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)
Show SMILES CCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O
Show InChI InChI=1S/C23H27N3O4/c1-2-3-18(13-21(27)28)26-11-10-17-12-19(8-9-20(17)23(26)29)30-14-15-4-6-16(7-5-15)22(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,27,28)
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n/an/a 230n/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 0.1% 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))		BDBM50082937
PNG
(CHEMBL356574 | [6-(4-Carbamimidoyl-benzyloxy)-1,2,...)
Show SMILES NC(=N)c1ccc(COc2ccc3CC(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H22N2O3/c21-20(22)15-4-1-13(2-5-15)12-25-18-8-7-16-9-14(10-19(23)24)3-6-17(16)11-18/h1-2,4-5,7-8,11,14H,3,6,9-10,12H2,(H3,21,22)(H,23,24)
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n/an/a 260n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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

J Med Chem 42: 4875-89 (1999)


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


(Homo sapiens (Human))		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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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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50015159
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-methyl-propiona...)
Show SMILES CC(C(=O)N(C)O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO3/c1-13(17(19)18(2)20)15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11,13,20H,12H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in RBL-1 cells

J Med Chem 31: 3-5 (1988)


BindingDB Entry DOI: 10.7270/Q2V40T6C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50015159
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-methyl-propiona...)
Show SMILES CC(C(=O)N(C)O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO3/c1-13(17(19)18(2)20)15-8-10-16(11-9-15)21-12-14-6-4-3-5-7-14/h3-11,13,20H,12H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells

J Med Chem 30: 2121-6 (1987)


BindingDB Entry DOI: 10.7270/Q29Z93XT
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in RBL-1 cells

J Med Chem 31: 3-5 (1988)


BindingDB Entry DOI: 10.7270/Q2V40T6C
More data for this
Ligand-Target Pair
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